(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one

C24H27N3O — CID 35179874

IUPAC(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O
InChIInChI=1S/C24H27N3O/c1-2-3-15-26-18-20(17-23(26)28)24-25-21-13-7-8-14-22(21)27(24)16-9-12-19-10-5-4-6-11-19/h4-14,20H,2-3,15-18H2,1H3/b12-9+/t20-/m0/s1
InChIKeyBILMCYOFFIKLTE-JTPHSUOKSA-N
MW373.50 g/mol
LogP4.87
Rot. Bonds7

About (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one

(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 35179874) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID35179874
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O
InChIInChI=1S/C24H27N3O/c1-2-3-15-26-18-20(17-23(26)28)24-25-21-13-7-8-14-22(21)27(24)16-9-12-19-10-5-4-6-11-19/h4-14,20H,2-3,15-18H2,1H3/b12-9+/t20-/m0/s1
InChIKeyBILMCYOFFIKLTE-JTPHSUOKSA-N
XLogP4.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40634337
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-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-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842072
2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 40841095
1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842064
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391

Frequently Asked Questions

What is the IUPAC name of (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 35179874) is (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one is CCCCN1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O.
What is the InChIKey of (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is BILMCYOFFIKLTE-JTPHSUOKSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-3-15-26-18-20(17-23(26)28)24-25-21-13-7-8-14-22(21)27(24)16-9-12-19-10-5-4-6-11-19/h4-14,20H,2-3,15-18H2,1H3/b12-9+/t20-/m0/s1.
What are the key properties of (4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?
(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 4.87, 7 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-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 35179874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).