ChemSpider 2D Image | 2-(5-Methoxy-1H-benzimidazol-2-yl)-N-methyl-N-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)ethanamine | C22H22F3N5O2

2-(5-Methoxy-1H-benzimidazol-2-yl)-N-methyl-N-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)ethanamine

  • Molecular FormulaC22H22F3N5O2
  • Average mass445.438 Da
  • Monoisotopic mass445.172546 Da
  • ChemSpider ID22250835

More details:

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

1H-Benzimidazole-2-ethanamine, 5-methoxy-N-methyl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
2-(5-Methoxy-1H-benzimidazol-2-yl)-N-methyl-N-({3-[3-(trifluormethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)ethanamin [German] [ACD/IUPAC Name]
2-(5-Methoxy-1H-benzimidazol-2-yl)-N-methyl-N-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)ethanamine [ACD/IUPAC Name]
2-(5-Méthoxy-1H-benzimidazol-2-yl)-N-méthyl-N-({3-[3-(trifluorométhyl)benzyl]-1,2,4-oxadiazol-5-yl}méthyl)éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.5±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 102.15
ACD/KOC (pH 5.5): 500.24
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 908.61
ACD/KOC (pH 7.4): 4449.62
Polar Surface Area: 80 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 335.0±3.0 cm3

Click to predict properties on the Chemicalize site


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