1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

C28H29N3O — CID 17003158

IUPAC1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1cccc(C)c1N1CC(c2nc3ccccc3n2CCCc2ccccc2)CC1=O
InChIInChI=1S/C28H29N3O/c1-20-10-8-11-21(2)27(20)31-19-23(18-26(31)32)28-29-24-15-6-7-16-25(24)30(28)17-9-14-22-12-4-3-5-13-22/h3-8,10-13,15-16,23H,9,14,17-19H2,1-2H3
InChIKeyKIZKFHYCNFNTNI-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.81
Rot. Bonds6

About 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17003158) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17003158
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1cccc(C)c1N1CC(c2nc3ccccc3n2CCCc2ccccc2)CC1=O
InChIInChI=1S/C28H29N3O/c1-20-10-8-11-21(2)27(20)31-19-23(18-26(31)32)28-29-24-15-6-7-16-25(24)30(28)17-9-14-22-12-4-3-5-13-22/h3-8,10-13,15-16,23H,9,14,17-19H2,1-2H3
InChIKeyKIZKFHYCNFNTNI-UHFFFAOYSA-N
XLogP5.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
(4R)-1-(2-methylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7011056
1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932
1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754134
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080614
(4R)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42108740
1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4753812
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615470
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003223
1-(2,6-dimethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003148
(4S)-1-(2,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 51430290

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17003158) is 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is Cc1cccc(C)c1N1CC(c2nc3ccccc3n2CCCc2ccccc2)CC1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is KIZKFHYCNFNTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-20-10-8-11-21(2)27(20)31-19-23(18-26(31)32)28-29-24-15-6-7-16-25(24)30(28)17-9-14-22-12-4-3-5-13-22/h3-8,10-13,15-16,23H,9,14,17-19H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 423.56 g/mol, XLogP of 5.81, 6 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-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17003158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).