1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one

C28H22ClN3O — CID 18889061

IUPAC1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccc3ccccc3c2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C28H22ClN3O/c29-23-11-13-24(14-12-23)31-18-22(16-27(31)33)28-30-25-7-3-4-8-26(25)32(28)17-19-9-10-20-5-1-2-6-21(20)15-19/h1-15,22H,16-18H2
InChIKeyGPJMZOVRNPRZLG-UHFFFAOYSA-N
MW451.96 g/mol
LogP6.41
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18889061) has the molecular formula C28H22ClN3O and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID18889061
Molecular FormulaC28H22ClN3O
Molecular Weight451.96 g/mol
Exact Mass451.15
IUPAC Name1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccc3ccccc3c2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C28H22ClN3O/c29-23-11-13-24(14-12-23)31-18-22(16-27(31)33)28-30-25-7-3-4-8-26(25)32(28)17-19-9-10-20-5-1-2-6-21(20)15-19/h1-15,22H,16-18H2
InChIKeyGPJMZOVRNPRZLG-UHFFFAOYSA-N
XLogP6.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 40698914
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
(4S)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 40836190
1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889086
(4R)-1-(4-methoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40812436
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
4-(1-benzylbenzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 4242932
1-(4-bromophenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004697
(4S)-1-(4-ethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35180053
(4S)-1-(4-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698944

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 18889061) is 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2ccc3ccccc3c2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is GPJMZOVRNPRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O/c29-23-11-13-24(14-12-23)31-18-22(16-27(31)33)28-30-25-7-3-4-8-26(25)32(28)17-19-9-10-20-5-1-2-6-21(20)15-19/h1-15,22H,16-18H2.
What are the key properties of 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 451.96 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18889061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).