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

C21H21N3O — CID 40634337

IUPAC(4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCN1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O
InChIInChI=1S/C21H21N3O/c1-23-15-17(14-20(23)25)21-22-18-11-5-6-12-19(18)24(21)13-7-10-16-8-3-2-4-9-16/h2-12,17H,13-15H2,1H3/b10-7+/t17-/m1/s1
InChIKeyNEILKVHITXKPMU-PYUISTEWSA-N
MW331.42 g/mol
LogP3.70
Rot. Bonds4

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

(4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40634337) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40634337
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCN1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O
InChIInChI=1S/C21H21N3O/c1-23-15-17(14-20(23)25)21-22-18-11-5-6-12-19(18)24(21)13-7-10-16-8-3-2-4-9-16/h2-12,17H,13-15H2,1H3/b10-7+/t17-/m1/s1
InChIKeyNEILKVHITXKPMU-PYUISTEWSA-N
XLogP3.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35179874
1-(2,3-dimethylphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17002765
1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 2959864
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 6200874
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
(4S)-4-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 40634361
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 25345248
2-[2-(1-methyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17002346

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 40634337) is (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one is CN1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O.
What is the InChIKey of (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is NEILKVHITXKPMU-PYUISTEWSA-N. The full InChI is InChI=1S/C21H21N3O/c1-23-15-17(14-20(23)25)21-22-18-11-5-6-12-19(18)24(21)13-7-10-16-8-3-2-4-9-16/h2-12,17H,13-15H2,1H3/b10-7+/t17-/m1/s1.
What are the key properties of (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40634337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).