1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one

C23H27N3O — CID 43842064

IUPAC1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2C(C)c2ccccc2)CC1=O
InChIInChI=1S/C23H27N3O/c1-3-4-14-25-16-19(15-22(25)27)23-24-20-12-8-9-13-21(20)26(23)17(2)18-10-6-5-7-11-18/h5-13,17,19H,3-4,14-16H2,1-2H3
InChIKeyKFKINQWUXSHJQW-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.76
Rot. Bonds6

About 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 43842064) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID43842064
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2C(C)c2ccccc2)CC1=O
InChIInChI=1S/C23H27N3O/c1-3-4-14-25-16-19(15-22(25)27)23-24-20-12-8-9-13-21(20)26(23)17(2)18-10-6-5-7-11-18/h5-13,17,19H,3-4,14-16H2,1-2H3
InChIKeyKFKINQWUXSHJQW-UHFFFAOYSA-N
XLogP4.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 43837404
(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 39115865
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35179874
4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964563
1-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17027774
(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40698966
(4S)-1-(4-ethoxyphenyl)-4-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40639949
1-(2-chlorophenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889252
1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842072

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 43842064) is 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one is CCCCN1CC(c2nc3ccccc3n2C(C)c2ccccc2)CC1=O.
What is the InChIKey of 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is KFKINQWUXSHJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-3-4-14-25-16-19(15-22(25)27)23-24-20-12-8-9-13-21(20)26(23)17(2)18-10-6-5-7-11-18/h5-13,17,19H,3-4,14-16H2,1-2H3.
What are the key properties of 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 43842064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).