ChemSpider 2D Image | 2-[(4-{[3-(Trifluoromethyl)-2-pyridinyl]oxy}phenyl)amino]-1H-benzimidazole-5-carbonitrile | C20H12F3N5O

2-[(4-{[3-(Trifluoromethyl)-2-pyridinyl]oxy}phenyl)amino]-1H-benzimidazole-5-carbonitrile

  • Molecular FormulaC20H12F3N5O
  • Average mass395.337 Da
  • Monoisotopic mass395.099396 Da
  • ChemSpider ID28511616

More details:






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

1H-Benzimidazole-6-carbonitrile, 2-[[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]- [ACD/Index Name]
2-[(4-{[3-(Trifluormethyl)-2-pyridinyl]oxy}phenyl)amino]-1H-benzimidazol-5-carbonitril [German] [ACD/IUPAC Name]
2-[(4-{[3-(Trifluoromethyl)-2-pyridinyl]oxy}phenyl)amino]-1H-benzimidazole-5-carbonitrile [ACD/IUPAC Name]
2-[(4-{[3-(Trifluorométhyl)-2-pyridinyl]oxy}phényl)amino]-1H-benzimidazole-5-carbonitrile [French] [ACD/IUPAC Name]
2-[(4-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}phenyl)amino]-1h-Benzimidazole-6-Carbonitrile
0VM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 569.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.4±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 732.09
ACD/KOC (pH 5.5): 3664.98
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 903.26
ACD/KOC (pH 7.4): 4521.88
Polar Surface Area: 87 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 262.9±5.0 cm3

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