ChemSpider 2D Image | 1-[4-(2-Allylphenoxy)butyl]-2-(3-bromophenyl)-1H-benzimidazole | C26H25BrN2O

1-[4-(2-Allylphenoxy)butyl]-2-(3-bromophenyl)-1H-benzimidazole

  • Molecular FormulaC26H25BrN2O
  • Average mass461.393 Da
  • Monoisotopic mass460.115021 Da
  • ChemSpider ID23440753

More details:

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

1-[4-(2-Allylphenoxy)butyl]-2-(3-bromophenyl)-1H-benzimidazole [ACD/IUPAC Name]
1-[4-(2-Allylphénoxy)butyl]-2-(3-bromophényl)-1H-benzimidazole [French] [ACD/IUPAC Name]
1-[4-(2-Allylphenoxy)butyl]-2-(3-bromphenyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
1H-Benzimidazole, 2-(3-bromophenyl)-1-[4-[2-(2-propen-1-yl)phenoxy]butyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 127.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 107409.59
ACD/KOC (pH 5.5): 129844.58
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 135810.73
ACD/KOC (pH 7.4): 164177.97
Polar Surface Area: 27 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 370.5±7.0 cm3

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