ChemSpider 2D Image | 2-(4-Isopropylphenyl)-7-methoxy-5-(2-methoxybenzyl)-1-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazole | C29H31F3N2O3

2-(4-Isopropylphenyl)-7-methoxy-5-(2-methoxybenzyl)-1-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazole

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID25053508

More details:

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

1H-Benzimidazole, 7-methoxy-1-(2-methoxyethyl)-5-[(2-methoxyphenyl)methyl]-2-[4-(1-methylethyl)phenyl]-4-(trifluoromethyl)- [ACD/Index Name]
2-(4-Isopropylphenyl)-7-methoxy-5-(2-methoxybenzyl)-1-(2-methoxyethyl)-4-(trifluormethyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
2-(4-Isopropylphenyl)-7-methoxy-5-(2-methoxybenzyl)-1-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazole [ACD/IUPAC Name]
2-(4-Isopropylphényl)-7-méthoxy-5-(2-méthoxybenzyl)-1-(2-méthoxyéthyl)-4-(trifluorométhyl)-1H-benzimidazole [French] [ACD/IUPAC 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: 591.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.7±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48609.20
ACD/KOC (pH 5.5): 78469.09
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49249.78
ACD/KOC (pH 7.4): 79503.16
Polar Surface Area: 46 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 34.9±7.0 dyne/cm
Molar Volume: 429.5±7.0 cm3

Click to predict properties on the Chemicalize site


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