ChemSpider 2D Image | 3-(2-Bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile | C18H14BrN3O2

3-(2-Bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile

  • Molecular FormulaC18H14BrN3O2
  • Average mass384.227 Da
  • Monoisotopic mass383.026947 Da
  • ChemSpider ID24808287

More details:

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

1H-Benzimidazole-2-acetonitrile, α-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylene]-5-methyl- [ACD/Index Name]
3-(2-Brom-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
3-(2-Bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile [ACD/IUPAC Name]
3-(2-Bromo-4-hydroxy-5-méthoxyphényl)-2-(5-méthyl-1H-benzimidazol-2-yl)acrylonitrile [French] [ACD/IUPAC Name]
Kinome_3750

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

Density: 1.6±0.1 g/cm3
Boiling Point: 589.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 310.2±32.9 °C
Index of Refraction: 1.729
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1516.94
ACD/KOC (pH 5.5): 6552.81
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1355.77
ACD/KOC (pH 7.4): 5856.61
Polar Surface Area: 82 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

Click to predict properties on the Chemicalize site


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