(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one

C21H23N3O — CID 25345248

IUPAC(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
SMILESCc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)c1
InChIInChI=1S/C21H23N3O/c1-14-8-9-15(2)16(10-14)13-24-19-7-5-4-6-18(19)22-21(24)17-11-20(25)23(3)12-17/h4-10,17H,11-13H2,1-3H3/t17-/m1/s1
InChIKeyNYVCYXJCLKBRKQ-QGZVFWFLSA-N
MW333.44 g/mol
LogP3.65
Rot. Bonds3

About (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one

(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one (PubChem CID 25345248) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
PubChem CID25345248
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
SMILESCc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)c1
InChIInChI=1S/C21H23N3O/c1-14-8-9-15(2)16(10-14)13-24-19-7-5-4-6-18(19)22-21(24)17-11-20(25)23(3)12-17/h4-10,17H,11-13H2,1-3H3/t17-/m1/s1
InChIKeyNYVCYXJCLKBRKQ-QGZVFWFLSA-N
XLogP3.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 3698723
1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005293
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011768
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 7011052
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
(4S)-1-(4-methylphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011305
1-(5-chloro-2-methoxyphenyl)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 118984936
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753906

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one (CID 25345248) is (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one is Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)c1.
What is the InChIKey of (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The InChIKey is NYVCYXJCLKBRKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-8-9-15(2)16(10-14)13-24-19-7-5-4-6-18(19)22-21(24)17-11-20(25)23(3)12-17/h4-10,17H,11-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 25345248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).