1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one

C19H27N3O — CID 16615336

IUPAC1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2CCCC)CC1=O
InChIInChI=1S/C19H27N3O/c1-3-5-11-21-14-15(13-18(21)23)19-20-16-9-7-8-10-17(16)22(19)12-6-4-2/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyNMXWXTUOUMPJEM-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.95
Rot. Bonds7

About 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one

1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 16615336) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID16615336
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2CCCC)CC1=O
InChIInChI=1S/C19H27N3O/c1-3-5-11-21-14-15(13-18(21)23)19-20-16-9-7-8-10-17(16)22(19)12-6-4-2/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyNMXWXTUOUMPJEM-UHFFFAOYSA-N
XLogP3.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
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-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17027774
1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 129255816
1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842072
(4R)-1-butyl-4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773778
1-butyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16615154
1-butyl-4-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 43842058

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one (CID 16615336) is 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCN1CC(c2nc3ccccc3n2CCCC)CC1=O.
What is the InChIKey of 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is NMXWXTUOUMPJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-3-5-11-21-14-15(13-18(21)23)19-20-16-9-7-8-10-17(16)22(19)12-6-4-2/h7-10,15H,3-6,11-14H2,1-2H3.
What are the key properties of 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one?
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 313.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 16615336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).