(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

C22H24ClN3O — CID 7080651

IUPAC(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1Cl
InChIInChI=1S/C22H24ClN3O/c1-14(2)12-26-20-7-5-4-6-19(20)24-22(26)16-10-21(27)25(13-16)17-9-8-15(3)18(23)11-17/h4-9,11,14,16H,10,12-13H2,1-3H3/t16-/m0/s1
InChIKeySZDSKUCMNKQGHH-INIZCTEOSA-N
MW381.91 g/mol
LogP5.17
Rot. Bonds4

About (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 7080651) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID7080651
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1Cl
InChIInChI=1S/C22H24ClN3O/c1-14(2)12-26-20-7-5-4-6-19(20)24-22(26)16-10-21(27)25(13-16)17-9-8-15(3)18(23)11-17/h4-9,11,14,16H,10,12-13H2,1-3H3/t16-/m0/s1
InChIKeySZDSKUCMNKQGHH-INIZCTEOSA-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

(4S)-1-(4-chloro-3-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574647
1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16812358
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608
(4R)-1-(5-chloro-2-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7136813
(4S)-1-(3-chloro-4-methylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941336
(4R)-1-(4-methoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40504927
1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004302
1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242606
1-(3,4-dimethylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004330
4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 17004324
(4S)-4-[1-(2-methylpropyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080442
(4S)-1-(4-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698944

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 7080651) is (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1Cl.
What is the InChIKey of (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is SZDSKUCMNKQGHH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-14(2)12-26-20-7-5-4-6-19(20)24-22(26)16-10-21(27)25(13-16)17-9-8-15(3)18(23)11-17/h4-9,11,14,16H,10,12-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4S)-1-(3-chloro-4-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 (4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 7080651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).