ChemSpider 2D Image | 6-(3-Methyl-1,2,4-oxadiazol-5-yl)-N-(4-{[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methyl}-2-pyridinyl)-1H-benzimidazol-2-amine | C22H23F3N8O

6-(3-Methyl-1,2,4-oxadiazol-5-yl)-N-(4-{[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methyl}-2-pyridinyl)-1H-benzimidazol-2-amine

  • Molecular FormulaC22H23F3N8O
  • Average mass472.466 Da
  • Monoisotopic mass472.194702 Da
  • ChemSpider ID127415365

More details:

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

1H-Benzimidazol-2-amine, 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methyl]-2-pyridinyl]- [ACD/Index Name]
6-(3-Methyl-1,2,4-oxadiazol-5-yl)-N-(4-{[4-(2,2,2-trifluorethyl)-1-piperazinyl]methyl}-2-pyridinyl)-1H-benzimidazol-2-amin [German] [ACD/IUPAC Name]
6-(3-Methyl-1,2,4-oxadiazol-5-yl)-N-(4-{[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methyl}-2-pyridinyl)-1H-benzimidazol-2-amine [ACD/IUPAC Name]
6-(3-Méthyl-1,2,4-oxadiazol-5-yl)-N-(4-{[4-(2,2,2-trifluoroéthyl)-1-pipérazinyl]méthyl}-2-pyridinyl)-1H-benzimidazol-2-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 12.82
ACD/KOC (pH 5.5): 177.76
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.19
ACD/KOC (pH 7.4): 321.51
Polar Surface Area: 99 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 336.6±3.0 cm3

Click to predict properties on the Chemicalize site


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