ChemSpider 2D Image | 3-{4-[(4-Bromobenzyl)oxy]-3-methoxyphenyl}-2-(1-ethyl-1H-benzimidazol-2-yl)acrylonitrile | C26H22BrN3O2

3-{4-[(4-Bromobenzyl)oxy]-3-methoxyphenyl}-2-(1-ethyl-1H-benzimidazol-2-yl)acrylonitrile

  • Molecular FormulaC26H22BrN3O2
  • Average mass488.376 Da
  • Monoisotopic mass487.089539 Da
  • ChemSpider ID35316048

More details:

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

1H-Benzimidazole-2-acetonitrile, α-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylene]-1-ethyl- [ACD/Index Name]
3-{4-[(4-Brombenzyl)oxy]-3-methoxyphenyl}-2-(1-ethyl-1H-benzimidazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
3-{4-[(4-Bromobenzyl)oxy]-3-methoxyphenyl}-2-(1-ethyl-1H-benzimidazol-2-yl)acrylonitrile [ACD/IUPAC Name]
3-{4-[(4-Bromobenzyl)oxy]-3-méthoxyphényl}-2-(1-éthyl-1H-benzimidazol-2-yl)acrylonitrile [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: 654.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20191.70
ACD/KOC (pH 5.5): 41838.20
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20461.00
ACD/KOC (pH 7.4): 42396.20
Polar Surface Area: 60 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 372.8±7.0 cm3

Click to predict properties on the Chemicalize site


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