ChemSpider 2D Image | 1-Methyl-2-{1-[6-(4-methyl-1H-1,2,3-triazol-1-yl)-2-(trifluoromethyl)-4-pyrimidinyl]-3-azetidinyl}-1H-benzimidazole | C19H17F3N8

1-Methyl-2-{1-[6-(4-methyl-1H-1,2,3-triazol-1-yl)-2-(trifluoromethyl)-4-pyrimidinyl]-3-azetidinyl}-1H-benzimidazole

  • Molecular FormulaC19H17F3N8
  • Average mass414.387 Da
  • Monoisotopic mass414.152832 Da
  • ChemSpider ID76733644

More details:

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

1H-Benzimidazole, 1-methyl-2-[1-[6-(4-methyl-1H-1,2,3-triazol-1-yl)-2-(trifluoromethyl)-4-pyrimidinyl]-3-azetidinyl]- [ACD/Index Name]
1-Methyl-2-{1-[6-(4-methyl-1H-1,2,3-triazol-1-yl)-2-(trifluormethyl)-4-pyrimidinyl]-3-azetidinyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
1-Methyl-2-{1-[6-(4-methyl-1H-1,2,3-triazol-1-yl)-2-(trifluoromethyl)-4-pyrimidinyl]-3-azetidinyl}-1H-benzimidazole [ACD/IUPAC Name]
1-Méthyl-2-{1-[6-(4-méthyl-1H-1,2,3-triazol-1-yl)-2-(trifluorométhyl)-4-pyrimidinyl]-3-azétidinyl}-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 602.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.2±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 104.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 20.76
ACD/KOC (pH 5.5): 247.74
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.60
ACD/KOC (pH 7.4): 508.51
Polar Surface Area: 78 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 263.9±7.0 cm3

Click to predict properties on the Chemicalize site


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