(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one

C23H27N3O — CID 7080488

IUPAC(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O/c1-4-5-13-25-21-11-7-6-10-19(21)24-23(25)18-14-22(27)26(15-18)20-12-8-9-16(2)17(20)3/h6-12,18H,4-5,13-15H2,1-3H3/t18-/m1/s1
InChIKeyJKGUCVCYWFJUQT-GOSISDBHSA-N
MW361.49 g/mol
LogP4.97
Rot. Bonds5

About (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one

(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one (PubChem CID 7080488) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
PubChem CID7080488
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O/c1-4-5-13-25-21-11-7-6-10-19(21)24-23(25)18-14-22(27)26(15-18)20-12-8-9-16(2)17(20)3/h6-12,18H,4-5,13-15H2,1-3H3/t18-/m1/s1
InChIKeyJKGUCVCYWFJUQT-GOSISDBHSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 17002828
1-(2,3-dimethylphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753961
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40698817
(4S)-4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40813705
(4S)-1-(2,3-dimethylphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814582
1-(2,3-dimethylphenyl)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753991
4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 17002662
4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
1-(2-bromophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003275
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one (CID 7080488) is (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one is CCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21.
What is the InChIKey of (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is JKGUCVCYWFJUQT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-5-13-25-21-11-7-6-10-19(21)24-23(25)18-14-22(27)26(15-18)20-12-8-9-16(2)17(20)3/h6-12,18H,4-5,13-15H2,1-3H3/t18-/m1/s1.
What are the key properties of (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 7080488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).