ChemSpider 2D Image | 2-[(4-tert-Butylphenoxy)methyl]-1-[4-(4-chloro-3-methylphenoxy)butyl]-1H-benzimidazole | C29H33ClN2O2

2-[(4-tert-Butylphenoxy)methyl]-1-[4-(4-chloro-3-methylphenoxy)butyl]-1H-benzimidazole

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID23437716

More details:

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

1-[4-(4-Chlor-3-methylphenoxy)butyl]-2-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
1-[4-(4-Chloro-3-methylphenoxy)butyl]-2-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-1H-benzimidazole [ACD/IUPAC Name]
1-[4-(4-Chloro-3-méthylphénoxy)butyl]-2-{[4-(2-méthyl-2-propanyl)phénoxy]méthyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
1H-Benzimidazole, 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[[4-(1,1-dimethylethyl)phenoxy]methyl]- [ACD/Index Name]
2-[(4-tert-Butylphenoxy)methyl]-1-[4-(4-chloro-3-methylphenoxy)butyl]-1H-benzimidazole

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

Density: 1.1±0.1 g/cm3
Boiling Point: 640.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 341.1±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: 9.07
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 236049.20
ACD/KOC (pH 5.5): 224633.38
ACD/LogD (pH 7.4): 7.54
ACD/BCF (pH 7.4): 314884.50
ACD/KOC (pH 7.4): 299656.06
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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