(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one

C22H25N3O — CID 39115868

IUPAC(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
SMILESCCCCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O
InChIInChI=1S/C22H25N3O/c1-2-3-13-24-16-18(14-21(24)26)22-23-19-11-7-8-12-20(19)25(22)15-17-9-5-4-6-10-17/h4-12,18H,2-3,13-16H2,1H3/t18-/m1/s1
InChIKeyWYJDONXUEUODGG-GOSISDBHSA-N
MW347.46 g/mol
LogP4.20
Rot. Bonds6

About (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one

(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one (PubChem CID 39115868) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
PubChem CID39115868
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
SMILESCCCCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O
InChIInChI=1S/C22H25N3O/c1-2-3-13-24-16-18(14-21(24)26)22-23-19-11-7-8-12-20(19)25(22)15-17-9-5-4-6-10-17/h4-12,18H,2-3,13-16H2,1H3/t18-/m1/s1
InChIKeyWYJDONXUEUODGG-GOSISDBHSA-N
XLogP4.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.20
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
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005702
(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35179874
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-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 43842066
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346317
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one (CID 39115868) is (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one is CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O.
What is the InChIKey of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one?
The InChIKey is WYJDONXUEUODGG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-3-13-24-16-18(14-21(24)26)22-23-19-11-7-8-12-20(19)25(22)15-17-9-5-4-6-10-17/h4-12,18H,2-3,13-16H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one?
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one is sourced from PubChem (CID 39115868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).