ChemSpider 2D Image | 2-(1H-Benzimidazol-1-yl)-1-{4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}ethanone | C18H17F3N6O

2-(1H-Benzimidazol-1-yl)-1-{4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}ethanone

  • Molecular FormulaC18H17F3N6O
  • Average mass390.362 Da
  • Monoisotopic mass390.141602 Da
  • ChemSpider ID35007779

More details:

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

2-(1H-Benzimidazol-1-yl)-1-{4-[6-(trifluormethyl)-4-pyrimidinyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
2-(1H-Benzimidazol-1-yl)-1-{4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
2-(1H-Benzimidazol-1-yl)-1-{4-[6-(trifluorométhyl)-4-pyrimidinyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(1H-benzimidazol-1-yl)-1-[4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]
2-(1H-1,3-benzodiazol-1-yl)-1-{4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
2-(1H-benzo[d]imidazol-1-yl)-1-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)ethanone
2034599-94-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 601.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.18
ACD/KOC (pH 5.5): 311.46
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.37
ACD/KOC (pH 7.4): 342.07
Polar Surface Area: 67 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 266.0±7.0 cm3

Click to predict properties on the Chemicalize site


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