(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one

C23H27N3O — CID 40841199

IUPAC(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
SMILESCC[C@H](C)c1ccc(Cn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)cc1
InChIInChI=1S/C23H27N3O/c1-4-16(2)18-11-9-17(10-12-18)14-26-21-8-6-5-7-20(21)24-23(26)19-13-22(27)25(3)15-19/h5-12,16,19H,4,13-15H2,1-3H3/t16-,19+/m0/s1
InChIKeyGDSRWHOJGFGLER-QFBILLFUSA-N
MW361.49 g/mol
LogP4.54
Rot. Bonds5

About (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one

(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one (PubChem CID 40841199) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
PubChem CID40841199
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
SMILESCC[C@H](C)c1ccc(Cn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)cc1
InChIInChI=1S/C23H27N3O/c1-4-16(2)18-11-9-17(10-12-18)14-26-21-8-6-5-7-20(21)24-23(26)19-13-22(27)25(3)15-19/h5-12,16,19H,4,13-15H2,1-3H3/t16-,19+/m0/s1
InChIKeyGDSRWHOJGFGLER-QFBILLFUSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115890
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
(4S)-1-(2-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010943
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 25345248
1-(4-bromophenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004697
4-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004549
(4S)-4-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 40634361
1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004330

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one (CID 40841199) is (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one is CC[C@H](C)c1ccc(Cn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)cc1.
What is the InChIKey of (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The InChIKey is GDSRWHOJGFGLER-QFBILLFUSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-16(2)18-11-9-17(10-12-18)14-26-21-8-6-5-7-20(21)24-23(26)19-13-22(27)25(3)15-19/h5-12,16,19H,4,13-15H2,1-3H3/t16-,19+/m0/s1.
What are the key properties of (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 40841199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).