ChemSpider 2D Image | GSK1331258 | C19H19ClF3N5

GSK1331258

  • Molecular FormulaC19H19ClF3N5
  • Average mass409.836 Da
  • Monoisotopic mass409.128113 Da
  • ChemSpider ID24655663

More details:






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

1H-Benzimidazole, 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-1-methyl- [ACD/Index Name]
2-({4-[3-Chlor-5-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}methyl)-1-methyl-1H-benzimidazol [German] [ACD/IUPAC Name]
2-({4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}methyl)-1-methyl-1H-benzimidazole [ACD/IUPAC Name]
2-({4-[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}méthyl)-1-méthyl-1H-benzimidazole [French] [ACD/IUPAC Name]
GSK1331258
10.1016/j.bmcl.2009.11.032
2-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1-methyl-1H-benzo[d]imidazole
2-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-1-methyl-1H-1,3-benzodiazole
GSK 1331258
GSK 1331258|GSK-1331258
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 532.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.1±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 102.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 390.09
ACD/KOC (pH 5.5): 1759.77
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1286.26
ACD/KOC (pH 7.4): 5802.51
Polar Surface Area: 37 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 288.6±7.0 cm3

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