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

C28H22ClN3O — CID 18889248

IUPAC1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2cccc3ccccc23)CN1c1ccccc1Cl
InChIInChI=1S/C28H22ClN3O/c29-23-12-3-5-14-25(23)31-18-21(16-27(31)33)28-30-24-13-4-6-15-26(24)32(28)17-20-10-7-9-19-8-1-2-11-22(19)20/h1-15,21H,16-18H2
InChIKeyYCSWAVYIKNGODB-UHFFFAOYSA-N
MW451.96 g/mol
LogP6.41
Rot. Bonds4

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

1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18889248) has the molecular formula C28H22ClN3O and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID18889248
Molecular FormulaC28H22ClN3O
Molecular Weight451.96 g/mol
Exact Mass451.15
IUPAC Name1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2cccc3ccccc23)CN1c1ccccc1Cl
InChIInChI=1S/C28H22ClN3O/c29-23-12-3-5-14-25(23)31-18-21(16-27(31)33)28-30-24-13-4-6-15-26(24)32(28)17-20-10-7-9-19-8-1-2-11-22(19)20/h1-15,21H,16-18H2
InChIKeyYCSWAVYIKNGODB-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-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002642
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one
CID 40698692
(4R)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7011738
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 18889307
(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40871118
1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889304
(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40836176
4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 4753766
(4S)-1-(2-chlorophenyl)-4-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813469
(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 25345296
(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 1034388
(4R)-1-(2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773736

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 18889248) is 1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2cccc3ccccc23)CN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is YCSWAVYIKNGODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O/c29-23-12-3-5-14-25(23)31-18-21(16-27(31)33)28-30-24-13-4-6-15-26(24)32(28)17-20-10-7-9-19-8-1-2-11-22(19)20/h1-15,21H,16-18H2.
What are the key properties of 1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-chlorophenyl)-4-[1-(naphthalen-1-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-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18889248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).