ChemSpider 2D Image | 2-[(4-tert-Butylphenoxy)methyl]-1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-benzimidazole | C29H33ClN2O2

2-[(4-tert-Butylphenoxy)methyl]-1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-benzimidazole

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID23437694

More details:

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

1-[3-(4-Chlor-3,5-dimethylphenoxy)propyl]-2-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
1-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-2-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-1H-benzimidazole [ACD/IUPAC Name]
1-[3-(4-Chloro-3,5-diméthylphénoxy)propyl]-2-{[4-(2-méthyl-2-propanyl)phénoxy]méthyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
1H-Benzimidazole, 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[[4-(1,1-dimethylethyl)phenoxy]methyl]- [ACD/Index Name]
2-[(4-tert-Butylphenoxy)methyl]-1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-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: 642.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 342.6±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 629800.38
ACD/KOC (pH 5.5): 462437.34
ACD/LogD (pH 7.4): 8.06
ACD/BCF (pH 7.4): 785055.44
ACD/KOC (pH 7.4): 576434.94
Polar Surface Area: 36 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 423.7±7.0 cm3

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