1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one

C20H21N3O — CID 16615470

IUPAC1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCc1cccc(C)c1N1CC(c2nc3ccccc3n2C)CC1=O
InChIInChI=1S/C20H21N3O/c1-13-7-6-8-14(2)19(13)23-12-15(11-18(23)24)20-21-16-9-4-5-10-17(16)22(20)3/h4-10,15H,11-12H2,1-3H3
InChIKeyJRWLJXXSRIVCKJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.71
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one

1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 16615470) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID16615470
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCc1cccc(C)c1N1CC(c2nc3ccccc3n2C)CC1=O
InChIInChI=1S/C20H21N3O/c1-13-7-6-8-14(2)19(13)23-12-15(11-18(23)24)20-21-16-9-4-5-10-17(16)22(20)3/h4-10,15H,11-12H2,1-3H3
InChIKeyJRWLJXXSRIVCKJ-UHFFFAOYSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-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

(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003158
(4S)-1-(3-chloro-4-methylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941336
(4R)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42108740
(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136822
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003117
1-(2,6-dimethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003148
1-(2,6-dimethylphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003176
(4S)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792554
(4R)-4-(1-methylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080429
2-[2-[(3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 26864431
4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003170

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one (CID 16615470) is 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one is Cc1cccc(C)c1N1CC(c2nc3ccccc3n2C)CC1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is JRWLJXXSRIVCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13-7-6-8-14(2)19(13)23-12-15(11-18(23)24)20-21-16-9-4-5-10-17(16)22(20)3/h4-10,15H,11-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 16615470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).