ChemSpider 2D Image | 1-(1H-Benzimidazol-5-yl)-3-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}urea | C17H19F3N6O

1-(1H-Benzimidazol-5-yl)-3-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}urea

  • Molecular FormulaC17H19F3N6O
  • Average mass380.368 Da
  • Monoisotopic mass380.157257 Da
  • ChemSpider ID30941786

More details:

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

1-(1H-Benzimidazol-5-yl)-3-{2-methyl-3-[3-methyl-5-(trifluormethyl)-1H-pyrazol-1-yl]propyl}harnstoff [German] [ACD/IUPAC Name]
1-(1H-Benzimidazol-5-yl)-3-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}urea [ACD/IUPAC Name]
1-(1H-Benzimidazol-5-yl)-3-{2-méthyl-3-[3-méthyl-5-(trifluorométhyl)-1H-pyrazol-1-yl]propyl}urée [French] [ACD/IUPAC Name]
Urea, N-1H-benzimidazol-5-yl-N'-[2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl]- [ACD/Index Name]
N-1H-benzimidazol-5-yl-N'-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}urea

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.9±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 22.81
ACD/KOC (pH 5.5): 273.75
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 41.92
ACD/KOC (pH 7.4): 503.03
Polar Surface Area: 88 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 264.6±7.0 cm3

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