(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one

C21H23N3O — CID 7136839

IUPAC(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-4-23-19-8-6-5-7-18(19)22-21(23)16-12-20(25)24(13-16)17-10-14(2)9-15(3)11-17/h5-11,16H,4,12-13H2,1-3H3/t16-/m0/s1
InChIKeyUGAKFONVINDLDV-INIZCTEOSA-N
MW333.44 g/mol
LogP4.19
Rot. Bonds3

About (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 7136839) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID7136839
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-4-23-19-8-6-5-7-18(19)22-21(23)16-12-20(25)24(13-16)17-10-14(2)9-15(3)11-17/h5-11,16H,4,12-13H2,1-3H3/t16-/m0/s1
InChIKeyUGAKFONVINDLDV-INIZCTEOSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)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-(1-benzylbenzimidazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 4754232
(4S)-1-(3,5-dimethylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40513720
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080614
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 6941280
1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754257
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513
1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753906
1-(3-bromophenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242612
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one (CID 7136839) is (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one is CCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is UGAKFONVINDLDV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-23-19-8-6-5-7-18(19)22-21(23)16-12-20(25)24(13-16)17-10-14(2)9-15(3)11-17/h5-11,16H,4,12-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 7136839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).