ChemSpider 2D Image | 1-[4-(4-tert-Butylphenoxy)butyl]-2-[1-(4-chlorophenoxy)ethyl]-1H-benzimidazole | C29H33ClN2O2

1-[4-(4-tert-Butylphenoxy)butyl]-2-[1-(4-chlorophenoxy)ethyl]-1H-benzimidazole

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID23437957

More details:

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

1-[4-(4-tert-Butylphenoxy)butyl]-2-[1-(4-chlorophenoxy)ethyl]-1H-benzimidazole
1H-Benzimidazole, 2-[1-(4-chlorophenoxy)ethyl]-1-[4-[4-(1,1-dimethylethyl)phenoxy]butyl]- [ACD/Index Name]
2-[1-(4-Chlorophenoxy)ethyl]-1-{4-[4-(2-methyl-2-propanyl)phenoxy]butyl}-1H-benzimidazole [ACD/IUPAC Name]
2-[1-(4-Chlorophénoxy)éthyl]-1-{4-[4-(2-méthyl-2-propanyl)phénoxy]butyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
2-[1-(4-Chlorphenoxy)ethyl]-1-{4-[4-(2-methyl-2-propanyl)phenoxy]butyl}-1H-benzimidazol [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 629.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 334.4±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 203493.64
ACD/KOC (pH 5.5): 201343.64
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 274506.03
ACD/KOC (pH 7.4): 271605.75
Polar Surface Area: 36 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 424.6±7.0 cm3

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