1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C24H25Cl2N3O — CID 17005301

IUPAC1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1C1CCCCC1
InChIInChI=1S/C24H25Cl2N3O/c25-18-11-10-16(20(26)13-18)14-29-22-9-5-4-8-21(22)27-24(29)17-12-23(30)28(15-17)19-6-2-1-3-7-19/h4-5,8-11,13,17,19H,1-3,6-7,12,14-15H2
InChIKeyFEAFQGXXORGSDL-UHFFFAOYSA-N
MW442.39 g/mol
LogP6.04
Rot. Bonds4

About 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17005301) has the molecular formula C24H25Cl2N3O and a molecular weight of 442.39 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17005301
Molecular FormulaC24H25Cl2N3O
Molecular Weight442.39 g/mol
Exact Mass441.14
IUPAC Name1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1C1CCCCC1
InChIInChI=1S/C24H25Cl2N3O/c25-18-11-10-16(20(26)13-18)14-29-22-9-5-4-8-21(22)27-24(29)17-12-23(30)28(15-17)19-6-2-1-3-7-19/h4-5,8-11,13,17,19H,1-3,6-7,12,14-15H2
InChIKeyFEAFQGXXORGSDL-UHFFFAOYSA-N
XLogP6.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005302
4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
CID 17005290
1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005293
1-cyclopentyl-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965242
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247
1-cyclohexyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005272
1-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206
4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 19242466
1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 43842066
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005304
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965317

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 17005301) is 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is FEAFQGXXORGSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O/c25-18-11-10-16(20(26)13-18)14-29-22-9-5-4-8-21(22)27-24(29)17-12-23(30)28(15-17)19-6-2-1-3-7-19/h4-5,8-11,13,17,19H,1-3,6-7,12,14-15H2.
What are the key properties of 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 442.39 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17005301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).