1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one

C24H29N3O — CID 17004302

IUPAC1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCC(C)Cn1c(C2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-5-16(2)14-27-22-9-7-6-8-21(22)25-24(27)19-13-23(28)26(15-19)20-11-10-17(3)18(4)12-20/h6-12,16,19H,5,13-15H2,1-4H3
InChIKeyHTEJHGKUEOZNEP-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.22
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17004302) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17004302
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCC(C)Cn1c(C2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-5-16(2)14-27-22-9-7-6-8-21(22)25-24(27)19-13-23(28)26(15-19)20-11-10-17(3)18(4)12-20/h6-12,16,19H,5,13-15H2,1-4H3
InChIKeyHTEJHGKUEOZNEP-UHFFFAOYSA-N
XLogP5.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004666
1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004330
(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080651
(4S)-1-(4-chloro-3-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574647
1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4753812
1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3786381
4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 17004324
1-(3,4-dimethylphenyl)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753815
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608
1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16812358
(4R)-1-(4-methoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40504927
1-(3,4-dimethylphenyl)-4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753823

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17004302) is 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is CCC(C)Cn1c(C2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HTEJHGKUEOZNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-5-16(2)14-27-22-9-7-6-8-21(22)25-24(27)19-13-23(28)26(15-19)20-11-10-17(3)18(4)12-20/h6-12,16,19H,5,13-15H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17004302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).