1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

C21H22ClN3O — CID 16812358

IUPAC1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c(C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O/c1-3-10-24-19-7-5-4-6-18(19)23-21(24)15-11-20(26)25(13-15)16-9-8-14(2)17(22)12-16/h4-9,12,15H,3,10-11,13H2,1-2H3
InChIKeyFSLIGTNEOMYEGR-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.93
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 16812358) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID16812358
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c(C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O/c1-3-10-24-19-7-5-4-6-18(19)23-21(24)15-11-20(26)25(13-15)16-9-8-14(2)17(22)12-16/h4-9,12,15H,3,10-11,13H2,1-2H3
InChIKeyFSLIGTNEOMYEGR-UHFFFAOYSA-N
XLogP4.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080651
(4S)-1-(3-chloro-4-methylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941336
(4R)-1-(5-chloro-2-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136807
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964716
4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 17004324
1-(1,3-benzodioxol-5-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964878
1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4753812
(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080683
1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889038
1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889044
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (CID 16812358) is 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is CCCn1c(C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is FSLIGTNEOMYEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-3-10-24-19-7-5-4-6-18(19)23-21(24)15-11-20(26)25(13-15)16-9-8-14(2)17(22)12-16/h4-9,12,15H,3,10-11,13H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 367.88 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 16812358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).