(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one

C24H20ClN3O — CID 40698692

IUPAC(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Cl
InChIInChI=1S/C24H20ClN3O/c25-19-10-4-6-12-21(19)27-16-18(14-23(27)29)24-26-20-11-5-7-13-22(20)28(24)15-17-8-2-1-3-9-17/h1-13,18H,14-16H2/t18-/m1/s1
InChIKeyGTZMNSHBFGCMSK-GOSISDBHSA-N
MW401.90 g/mol
LogP5.26
Rot. Bonds4

About (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one

(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one (PubChem CID 40698692) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one
PubChem CID40698692
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Cl
InChIInChI=1S/C24H20ClN3O/c25-19-10-4-6-12-21(19)27-16-18(14-23(27)29)24-26-20-11-5-7-13-22(20)28(24)15-17-8-2-1-3-9-17/h1-13,18H,14-16H2/t18-/m1/s1
InChIKeyGTZMNSHBFGCMSK-GOSISDBHSA-N
XLogP5.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889248
1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889304
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 40698914
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 18889307
(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 39116042
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 3737057
(4R)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 35179994
4-(1-benzylbenzimidazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 4754232
(4R)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7011738
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
(4S)-1-(2-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010943
(4S)-1-(2-chlorophenyl)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40775493

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one (CID 40698692) is (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one is O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Cl.
What is the InChIKey of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one?
The InChIKey is GTZMNSHBFGCMSK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20ClN3O/c25-19-10-4-6-12-21(19)27-16-18(14-23(27)29)24-26-20-11-5-7-13-22(20)28(24)15-17-8-2-1-3-9-17/h1-13,18H,14-16H2/t18-/m1/s1.
What are the key properties of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one?
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one has a molecular weight of 401.90 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 40698692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).