1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C29H31N3O — CID 17004330

IUPAC1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1C
InChIInChI=1S/C29H31N3O/c1-19(2)23-12-10-22(11-13-23)17-32-27-8-6-5-7-26(27)30-29(32)24-16-28(33)31(18-24)25-14-9-20(3)21(4)15-25/h5-15,19,24H,16-18H2,1-4H3
InChIKeyQMVAKTIZBKTERQ-UHFFFAOYSA-N
MW437.59 g/mol
LogP6.35
Rot. Bonds5

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

1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17004330) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17004330
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC Name1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1C
InChIInChI=1S/C29H31N3O/c1-19(2)23-12-10-22(11-13-23)17-32-27-8-6-5-7-26(27)30-29(32)24-16-28(33)31(18-24)25-14-9-20(3)21(4)15-25/h5-15,19,24H,16-18H2,1-4H3
InChIKeyQMVAKTIZBKTERQ-UHFFFAOYSA-N
XLogP6.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 17004324
(4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010817
1-(3,4-dimethylphenyl)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753815
1-(4-bromophenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004697
(4R)-1-(4-methoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40812436
(4S)-1-(2-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010943
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004302
1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4753812
1-(2-methoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3707339
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
(4S)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115890

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 17004330) is 1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(N2CC(c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is QMVAKTIZBKTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O/c1-19(2)23-12-10-22(11-13-23)17-32-27-8-6-5-7-26(27)30-29(32)24-16-28(33)31(18-24)25-14-9-20(3)21(4)15-25/h5-15,19,24H,16-18H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 437.59 g/mol, XLogP of 6.35, 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-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17004330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).