ChemSpider 2D Image | 1-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-2-[(2-isopropyl-5-methylphenoxy)methyl]-1H-benzimidazole | C29H33ClN2O2

1-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-2-[(2-isopropyl-5-methylphenoxy)methyl]-1H-benzimidazole

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID23436581

More details:

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

1-[3-(4-Chlor-3,5-dimethylphenoxy)propyl]-2-[(2-isopropyl-5-methylphenoxy)methyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
1-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-2-[(2-isopropyl-5-methylphenoxy)methyl]-1H-benzimidazole [ACD/IUPAC Name]
1-[3-(4-Chloro-3,5-diméthylphénoxy)propyl]-2-[(2-isopropyl-5-méthylphénoxy)méthyl]-1H-benzimidazole [French] [ACD/IUPAC Name]
1H-Benzimidazole, 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]- [ACD/Index 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: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 345.0±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 139.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.26
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 690409.94
ACD/KOC (pH 5.5): 493812.44
ACD/LogD (pH 7.4): 8.11
ACD/BCF (pH 7.4): 860977.56
ACD/KOC (pH 7.4): 615810.13
Polar Surface Area: 36 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 418.4±7.0 cm3

Click to predict properties on the Chemicalize site


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