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

C24H20ClN3O — CID 40698914

IUPAC(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O/c25-19-10-12-20(13-11-19)27-16-18(14-23(27)29)24-26-21-8-4-5-9-22(21)28(24)15-17-6-2-1-3-7-17/h1-13,18H,14-16H2/t18-/m0/s1
InChIKeyMQOIAXRKMGYACT-SFHVURJKSA-N
MW401.90 g/mol
LogP5.26
Rot. Bonds4

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

(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one (PubChem CID 40698914) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
PubChem CID40698914
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O/c25-19-10-12-20(13-11-19)27-16-18(14-23(27)29)24-26-21-8-4-5-9-22(21)28(24)15-17-6-2-1-3-7-17/h1-13,18H,14-16H2/t18-/m0/s1
InChIKeyMQOIAXRKMGYACT-SFHVURJKSA-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-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889061
4-(1-benzylbenzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 4242932
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
4-(1-benzylbenzimidazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 4754232
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
(4S)-1-(4-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698944
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one
CID 40698692
4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 16964735
(4S)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 40836190
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 40504936

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one (CID 40698914) is (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one is O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(Cl)cc1.
What is the InChIKey of (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one?
The InChIKey is MQOIAXRKMGYACT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H20ClN3O/c25-19-10-12-20(13-11-19)27-16-18(14-23(27)29)24-26-21-8-4-5-9-22(21)28(24)15-17-6-2-1-3-7-17/h1-13,18H,14-16H2/t18-/m0/s1.
What are the key properties of (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one?
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-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 (4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 40698914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).