ChemSpider 2D Image | 2-[(3-Fluoro-4-methoxyphenyl)amino]-1-[2-(trifluoromethyl)benzyl]-1H-benzimidazole-5-carboxylic acid | C23H17F4N3O3

2-[(3-Fluoro-4-methoxyphenyl)amino]-1-[2-(trifluoromethyl)benzyl]-1H-benzimidazole-5-carboxylic acid

  • Molecular FormulaC23H17F4N3O3
  • Average mass459.393 Da
  • Monoisotopic mass459.120605 Da
  • ChemSpider ID24624751

More details:

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

(2e)-2-(3-Fluoranyl-4-Methoxy-Phenyl)imino-1-[[2-(Trifluoromethyl)phenyl]methyl]-3h-Benzimidazole-5-Carboxylic Acid
1H-Benzimidazole-5-carboxylic acid, 2-[(3-fluoro-4-methoxyphenyl)amino]-1-[[2-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
2-[(3-Fluor-4-methoxyphenyl)amino]-1-[2-(trifluormethyl)benzyl]-1H-benzimidazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-[(3-Fluoro-4-methoxyphenyl)amino]-1-[2-(trifluoromethyl)benzyl]-1H-benzimidazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 2-[(3-fluoro-4-méthoxyphényl)amino]-1-[2-(trifluorométhyl)benzyl]-1H-benzimidazole-5-carboxylique [French] [ACD/IUPAC Name]
1092829-87-2 [RN]
2-((3-Fluoro-4-methoxyphenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxylic acid
4A2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.4±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 263.96
ACD/KOC (pH 5.5): 551.21
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 21.35
ACD/KOC (pH 7.4): 44.58
Polar Surface Area: 76 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 325.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement