(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one

C18H17N3OS — CID 7080677

IUPAC(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCSc1cccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1
InChIInChI=1S/C18H17N3OS/c1-23-14-6-4-5-13(10-14)21-11-12(9-17(21)22)18-19-15-7-2-3-8-16(15)20-18/h2-8,10,12H,9,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyKGZRHHGATFNOBR-LBPRGKRZSA-N
MW323.42 g/mol
LogP3.81
Rot. Bonds3

About (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one

(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one (PubChem CID 7080677) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
PubChem CID7080677
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCSc1cccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1
InChIInChI=1S/C18H17N3OS/c1-23-14-6-4-5-13(10-14)21-11-12(9-17(21)22)18-19-15-7-2-3-8-16(15)20-18/h2-8,10,12H,9,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyKGZRHHGATFNOBR-LBPRGKRZSA-N
XLogP3.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 163330053
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39964849
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740
(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080683
(4R)-1-(3-methylsulfanylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080684
(4R)-1-(3-methylsulfanylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812744
(4R)-4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080692

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one (CID 7080677) is (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one is CSc1cccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1.
What is the InChIKey of (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one?
The InChIKey is KGZRHHGATFNOBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-23-14-6-4-5-13(10-14)21-11-12(9-17(21)22)18-19-15-7-2-3-8-16(15)20-18/h2-8,10,12H,9,11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one?
(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one has a molecular weight of 323.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 7080677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).