ChemSpider 2D Image | 5-[(5-{[4-{[4-(2-Hydroxyethyl)-1-piperazinyl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide | C29H31F3N6O3

5-[(5-{[4-{[4-(2-Hydroxyethyl)-1-piperazinyl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide

  • Molecular FormulaC29H31F3N6O3
  • Average mass568.590 Da
  • Monoisotopic mass568.240967 Da
  • ChemSpider ID25058529

More details:

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

1H-Imidazole-2-carboxamide, 5-[2-[5-[[[4-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]-2-methylphenyl]ethynyl]-1-methyl- [ACD/Index Name]
5-[(5-{[4-{[4-(2-Hydroxyethyl)-1-piperazinyl]methyl}-3-(trifluormethyl)phenyl]carbamoyl}-2-methylphenyl)ethinyl]-1-methyl-1H-imidazol-2-carboxamid [German] [ACD/IUPAC Name]
5-[(5-{[4-{[4-(2-Hydroxyethyl)-1-piperazinyl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide [ACD/IUPAC Name]
5-[(5-{[4-{[4-(2-Hydroxyéthyl)-1-pipérazinyl]méthyl}-3-(trifluorométhyl)phényl]carbamoyl}-2-méthylphényl)éthynyl]-1-méthyl-1H-imidazole-2-carboxamide [French] [ACD/IUPAC Name]
5-[(5-{[4-{[4-(2-Hydroxyethyl)piperazin-1-Yl]methyl}-3-(Trifluoromethyl)phenyl]carbamoyl}-2-Methylphenyl)ethynyl]-1-Methyl-1h-Imidazole-2-Carboxamide
XY3

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 20.45
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 32.94
ACD/KOC (pH 7.4): 393.54
Polar Surface Area: 117 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 427.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement