(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one

C16H21N3O — CID 39115865

IUPAC(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCN1C[C@@H](c2nc3ccccc3n2C)CC1=O
InChIInChI=1S/C16H21N3O/c1-3-4-9-19-11-12(10-15(19)20)16-17-13-7-5-6-8-14(13)18(16)2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m0/s1
InChIKeyIRBRPBWWAQZUHN-LBPRGKRZSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds4

About (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 39115865) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID39115865
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCN1C[C@@H](c2nc3ccccc3n2C)CC1=O
InChIInChI=1S/C16H21N3O/c1-3-4-9-19-11-12(10-15(19)20)16-17-13-7-5-6-8-14(13)18(16)2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m0/s1
InChIKeyIRBRPBWWAQZUHN-LBPRGKRZSA-N
XLogP2.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
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
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
1-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17027774
1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 23607619
1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842064
2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide
CID 134811588
(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35179874
1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842072
1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 129255816
1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 43842066

Frequently Asked Questions

What is the IUPAC name of (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one (CID 39115865) is (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCN1C[C@@H](c2nc3ccccc3n2C)CC1=O.
What is the InChIKey of (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is IRBRPBWWAQZUHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-9-19-11-12(10-15(19)20)16-17-13-7-5-6-8-14(13)18(16)2/h5-8,12H,3-4,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 39115865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).