(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

C22H24ClN3O — CID 7136813

IUPAC(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O
InChIInChI=1S/C22H24ClN3O/c1-14(2)12-26-19-7-5-4-6-18(19)24-22(26)16-10-21(27)25(13-16)20-11-17(23)9-8-15(20)3/h4-9,11,14,16H,10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyDAXMWPDMONJAKT-MRXNPFEDSA-N
MW381.91 g/mol
LogP5.17
Rot. Bonds4

About (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 7136813) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID7136813
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O
InChIInChI=1S/C22H24ClN3O/c1-14(2)12-26-19-7-5-4-6-18(19)24-22(26)16-10-21(27)25(13-16)20-11-17(23)9-8-15(20)3/h4-9,11,14,16H,10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyDAXMWPDMONJAKT-MRXNPFEDSA-N
XLogP5.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(5-chloro-2-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136807
(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080651
(4S)-1-(4-chloro-3-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574647
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 3737057
(4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813615
4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 4274079
1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753906
(4R)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 35179994
(4S)-1-(2-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010943
1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754285
(4R)-4-[1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 39115992

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 7136813) is (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O.
What is the InChIKey of (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is DAXMWPDMONJAKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-14(2)12-26-19-7-5-4-6-18(19)24-22(26)16-10-21(27)25(13-16)20-11-17(23)9-8-15(20)3/h4-9,11,14,16H,10,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 381.91 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 7136813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).