4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one

C25H22ClN3O — CID 3737057

IUPAC4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C25H22ClN3O/c1-17-6-2-4-8-22(17)28-16-19(14-24(28)30)25-27-21-7-3-5-9-23(21)29(25)15-18-10-12-20(26)13-11-18/h2-13,19H,14-16H2,1H3
InChIKeyGOWILIUYCNKBPL-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.57
Rot. Bonds4

About 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one

4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 3737057) has the molecular formula C25H22ClN3O and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID3737057
Molecular FormulaC25H22ClN3O
Molecular Weight415.92 g/mol
Exact Mass415.15
IUPAC Name4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C25H22ClN3O/c1-17-6-2-4-8-22(17)28-16-19(14-24(28)30)25-27-21-7-3-5-9-23(21)29(25)15-18-10-12-20(26)13-11-18/h2-13,19H,14-16H2,1H3
InChIKeyGOWILIUYCNKBPL-UHFFFAOYSA-N
XLogP5.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-chlorophenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1H-benzimidazole
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2-(4-Chloro-2-fluorophenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1h-benzimidazole
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1-[4-(3-chlorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 25132603
2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)-1-oxopropyl]-,(2S)-
CID 44454877
N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
CID 914315
N-{2-[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}acetamide
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Chlormidazole hydrochloride
CID 11346885

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one (CID 3737057) is 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is GOWILIUYCNKBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O/c1-17-6-2-4-8-22(17)28-16-19(14-24(28)30)25-27-21-7-3-5-9-23(21)29(25)15-18-10-12-20(26)13-11-18/h2-13,19H,14-16H2,1H3.
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one?
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 415.92 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 3737057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).