ChemSpider 2D Image | 3-[1-Benzyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitrile | C26H20N6

3-[1-Benzyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitrile

  • Molecular FormulaC26H20N6
  • Average mass416.477 Da
  • Monoisotopic mass416.174957 Da
  • ChemSpider ID30639748

More details:

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

1H-Benzimidazole-2-acetonitrile, 1-methyl-α-[[1-(phenylmethyl)-3-(3-pyridinyl)-1H-pyrazol-4-yl]methylene]- [ACD/Index Name]
3-[1-Benzyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
3-[1-Benzyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitrile [ACD/IUPAC Name]
3-[1-Benzyl-3-(3-pyridinyl)-1H-pyrazol-4-yl]-2-(1-méthyl-1H-benzimidazol-2-yl)acrylonitrile [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.1±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 952.68
ACD/KOC (pH 5.5): 4712.42
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 957.94
ACD/KOC (pH 7.4): 4738.43
Polar Surface Area: 72 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 339.8±7.0 cm3

Click to predict properties on the Chemicalize site


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