ChemSpider 2D Image | (2-{[4-(2-Methyl-2-propanyl)benzyl]sulfanyl}-1-[3-(trifluoromethyl)benzyl]-1H-imidazol-5-yl)methanol | C23H25F3N2OS

(2-{[4-(2-Methyl-2-propanyl)benzyl]sulfanyl}-1-[3-(trifluoromethyl)benzyl]-1H-imidazol-5-yl)methanol

  • Molecular FormulaC23H25F3N2OS
  • Average mass434.518 Da
  • Monoisotopic mass434.163971 Da
  • ChemSpider ID21561114

More details:






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

(2-{[4-(2-Methyl-2-propanyl)benzyl]sulfanyl}-1-[3-(trifluormethyl)benzyl]-1H-imidazol-5-yl)methanol [German] [ACD/IUPAC Name]
(2-{[4-(2-Methyl-2-propanyl)benzyl]sulfanyl}-1-[3-(trifluoromethyl)benzyl]-1H-imidazol-5-yl)methanol [ACD/IUPAC Name]
(2-{[4-(2-Méthyl-2-propanyl)benzyl]sulfanyl}-1-[3-(trifluorométhyl)benzyl]-1H-imidazol-5-yl)méthanol [French] [ACD/IUPAC Name]
1H-Imidazole-5-methanol, 2-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-1-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 563.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.8±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11176.46
ACD/KOC (pH 5.5): 26816.14
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12200.85
ACD/KOC (pH 7.4): 29274.01
Polar Surface Area: 63 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 361.2±7.0 cm3

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