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1-(1H-Benzo[d]imidazol-6-yl)-3-hydroxy-4-methyl-5-(1-phenylpiperidin-4-yl)-1H-pyrrol-2(5H)-one

An aromatic amide, C23H24N4O2, 388.471 g/mol.

verified record, Organic — aromatic amide

Identifiers

Molecular formula
C₂₃H₂₄N₄O₂
Molecular weight
388.471 g/mol
Exact mass
388.189926 g/mol
IUPAC name
1-(3H-benzimidazol-5-yl)-4-hydroxy-3-methyl-2-(1-phenylpiperidin-4-yl)-2H-pyrrol-5-one
SMILES
CC1=C(O)C(=O)N(c2ccc3nc[nH]c3c2)C1C1CCN(c2ccccc2)CC1
InChI
InChI=1S/C23H24N4O2/c1-15-21(16-9-11-26(12-10-16)17-5-3-2-4-6-17)27(23(29)22(15)28)18-7-8-19-20(13-18)25-14-24-19/h2-8,13-14,16,21,28H,9-12H2,1H3,(H,24,25)
InChIKey
SXUMHXSSJPSMDU-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
388.5 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
388.18992602 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
3.3calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
72.5 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
651calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
2calculated · reference compound database
H-bond acceptors
4calculated · reference compound database
logP
4.0267calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
72.46 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
2calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
4calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
3calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
114.0755 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0.3043calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.7106calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
29
Total atoms, hydrogen included
53
Rings
5
Aromatic rings
3
Stereocentres
1
Formal charge
0

Functional groups

  • Amide

    A carbonyl bonded directly to nitrogen.

  • Tertiary aromatic amine

    A nitrogen bonded to an aromatic ring and two other carbons.

  • Alkene

    A carbon–carbon double bond.

  • Aromatic ring

    A flat six-membered ring with delocalised electrons.

  • Aromatic ring (five-membered)

    A flat five-membered ring with delocalised electrons, such as furan, thiophene or pyrrole.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves 1-(1H-Benzo[d]imidazol-6-yl)-3-hydroxy-4-methyl-5-(1-phenylpiperidin-4-yl)-1H-pyrrol-2(5H)-one yet.

Other names for it

The systematic name on this record is 1-(3H-benzimidazol-5-yl)-4-hydroxy-3-methyl-2-(1-phenylpiperidin-4-yl)-2H-pyrrol-5-one.

The sources also call it SCHEMBL2383017, SXUMHXSSJPSMDU-UHFFFAOYSA-N.

Structurally related

Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.

1-(1-hydroxy-2-piperidin-4-ylethyl)-2-phenyl-2,5-dihydro-4H-pyrazolo[3,4-c]quinolin-4-one

C23H24N4O2

(+/-)-9-(2,3-Dihydro-benzofuran-2-ylmethyl)-7,7-dimethyl-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-pyrimido[1,2-a]pyrimidin-4-one

C23H24N4O2

(+/-)-(7-Cyano-4-pyridin-2-ylmethyl-1,2,3,4-tetrahydro-cyclopenta[b]indol-2-yl)-carbamic acid tert-butyl ester

C23H24N4O2

1-(1H-benzo[d]imidazol-6-yl)-5-(2,6-difluorophenyl)-3-hydroxy-4-methyl-1H-pyrrol-2(5H)-one

C18H13F2N3O2

1-(1H-Benzo[d]imidazol-6-yl)-5-(4-cyclohexylphenyl)-3-hydroxy-4-methyl-1H-pyrrol-2(5H)-one

C24H25N3O2

1-(1H-Benzoimidazol-5-yl)-3-hydroxy-4-phenyl-5-quinolin-3-yl-1,5-dihydro-pyrrol-2-one

C26H18N4O2

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as 1-(1H-Benzo[d]imidazol-6-yl)-3-hydroxy-4-methyl-5-(1-phenylpiperidin-4-yl)-1H-pyrrol-2(5H)-one. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

1-(1H-Benzo[d]imidazol-6-yl)-3-methoxy-4-methyl-5-(1-phenylpiperidin-4-yl)-1H-pyrrol-2(5H)-one

formed as a product

C₂₄H₂₆N₄O₂, 402.498 g/mol.

Where these values came from

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

Where to next

More molecules under 0–9

The rest of this shelf, a hundred names at a time.

Molar mass calculator

Work with C23H24N4O2 in a calculation, with every element's contribution shown.

Molarity calculator

Grams of 1-(1H-Benzo[d]imidazol-6-yl)-3-hydroxy-4-methyl-5-(1-phenylpiperidin-4-yl)-1H-pyrrol-2(5H)-one for a volume and a concentration, or the concentration a mass gives.

Open in ReactionLens

The full record in the workstation: every atom, every bond, and the reactions it appears in.