4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one

C18H15N3O2 — CID 18885924

IUPAC4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(C(=O)n2cnc3ccccc32)CN1c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-10-13(11-20(17)14-6-2-1-3-7-14)18(23)21-12-19-15-8-4-5-9-16(15)21/h1-9,12-13H,10-11H2
InChIKeyCJILFLHCANIWKZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.73
Rot. Bonds2

About 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one

4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one (PubChem CID 18885924) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
PubChem CID18885924
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(C(=O)n2cnc3ccccc32)CN1c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-10-13(11-20(17)14-6-2-1-3-7-14)18(23)21-12-19-15-8-4-5-9-16(15)21/h1-9,12-13H,10-11H2
InChIKeyCJILFLHCANIWKZ-UHFFFAOYSA-N
XLogP2.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9389364
(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25473974
1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one
CID 110465044
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 7449418
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
4-(benzotriazole-1-carbonyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120583
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one (CID 18885924) is 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one is O=C1CC(C(=O)n2cnc3ccccc32)CN1c1ccccc1.
What is the InChIKey of 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The InChIKey is CJILFLHCANIWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-10-13(11-20(17)14-6-2-1-3-7-14)18(23)21-12-19-15-8-4-5-9-16(15)21/h1-9,12-13H,10-11H2.
What are the key properties of 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one has a molecular weight of 305.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 18885924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).