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Search term: JCRACLXVKBMSFI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(4-Methoxybenzyl)amino]-1-[2-(trifluoromethyl)benzyl]-1H-benzimidazole-5-carboxylic acid | C24H20F3N3O3

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

  • Molecular FormulaC24H20F3N3O3
  • Average mass455.429 Da
  • Monoisotopic mass455.145691 Da
  • ChemSpider ID24624031

More details:

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

1H-Benzimidazole-5-carboxylic acid, 2-[[(4-methoxyphenyl)methyl]amino]-1-[[2-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
2-[(4-Methoxybenzyl)amino]-1-[2-(trifluormethyl)benzyl]-1H-benzimidazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-[(4-Methoxybenzyl)amino]-1-[2-(trifluoromethyl)benzyl]-1H-benzimidazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 2-[(4-méthoxybenzyl)amino]-1-[2-(trifluorométhyl)benzyl]-1H-benzimidazole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 341.5±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 126.78
ACD/KOC (pH 5.5): 296.56
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 16.31
ACD/KOC (pH 7.4): 38.14
Polar Surface Area: 76 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 339.0±7.0 cm3

Click to predict properties on the Chemicalize site


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