ChemSpider 2D Image | N-[(1S,2S)-2-Aminocyclohexyl]-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxamide | C22H21Cl3N4O

N-[(1S,2S)-2-Aminocyclohexyl]-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxamide

  • Molecular FormulaC22H21Cl3N4O
  • Average mass463.787 Da
  • Monoisotopic mass462.078094 Da
  • ChemSpider ID23285420

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Imidazole-4-carboxamide, N-[(1S,2S)-2-aminocyclohexyl]-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)- [ACD/Index Name]
N-[(1S,2S)-2-Aminocyclohexyl]-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
N-[(1S,2S)-2-Aminocyclohexyl]-1-(4-chlorophényl)-2-(2,4-dichlorophényl)-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[(1S,2S)-2-Aminocyclohexyl]-1-(4-chlorphenyl)-2-(2,4-dichlorphenyl)-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
CHEMBL229858
N-((1S,2S)-2-aminocyclohexyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 5.56
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 7.21
ACD/KOC (pH 7.4): 32.00
Polar Surface Area: 73 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 314.7±7.0 cm3

Click to predict properties on the Chemicalize site


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