1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide

C23H22Cl3N3O — CID 10195347

IUPAC1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-17-5-3-2-4-6-17)28-22(19-12-9-16(25)13-20(19)26)29(14)18-10-7-15(24)8-11-18/h7-13,17H,2-6H2,1H3,(H,27,30)
InChIKeyWNXQBBUGKOCHSZ-UHFFFAOYSA-N
MW462.81 g/mol
LogP6.87
Rot. Bonds4

About 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide

1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide (PubChem CID 10195347) has the molecular formula C23H22Cl3N3O and a molecular weight of 462.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
PubChem CID10195347
Molecular FormulaC23H22Cl3N3O
Molecular Weight462.81 g/mol
Exact Mass461.08
IUPAC Name1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-17-5-3-2-4-6-17)28-22(19-12-9-16(25)13-20(19)26)29(14)18-10-7-15(24)8-11-18/h7-13,17H,2-6H2,1H3,(H,27,30)
InChIKeyWNXQBBUGKOCHSZ-UHFFFAOYSA-N
XLogP6.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10114327
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-((1S,2S)-2-hydroxycyclohexyl)-1H-imidazole-4-carboxamide
CID 10276190
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cycloheptylamide
CID 11306088
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11408950
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide
CID 21949023
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
CID 21949054
6-(2,4-dichlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
CID 2821943
5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-1-methyl-imidazole-2-carboxamide
CID 9847217
N-(Cycloheptyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10116471
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclopentylamide
CID 10127496
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2-hydroxycyclohexyl)-5-propyl-1H-imidazole-4-carboxamide
CID 10140173
N-(Phenyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10182828

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide (CID 10195347) is 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide is Cc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide?
The InChIKey is WNXQBBUGKOCHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-17-5-3-2-4-6-17)28-22(19-12-9-16(25)13-20(19)26)29(14)18-10-7-15(24)8-11-18/h7-13,17H,2-6H2,1H3,(H,27,30).
What are the key properties of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide?
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide has a molecular weight of 462.81 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide is sourced from PubChem (CID 10195347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).