ChemSpider 2D Image | (2Z)-3-[3-(3-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitrile | C30H27N5O

(2Z)-3-[3-(3-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitrile

  • Molecular FormulaC30H27N5O
  • Average mass473.568 Da
  • Monoisotopic mass473.221558 Da
  • ChemSpider ID21812916

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[3-(3-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-[3-(3-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-[3-(3-Butoxyphényl)-1-phényl-1H-pyrazol-4-yl]-2-(1-méthyl-1H-benzimidazol-2-yl)acrylonitrile [French] [ACD/IUPAC Name]
1H-Benzimidazole-2-acetonitrile, α-[[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-1-methyl-, (αZ)- [ACD/Index Name]
(2Z)-3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
(2Z)-3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
(2Z)-3-[3-(3-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
(Z)-3-[3-(3-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
1009436-91-2 [RN]
AKOS005180419
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 687.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.8±3.0 kJ/mol
    Flash Point: 369.6±34.3 °C
    Index of Refraction: 1.635
    Molar Refractivity: 145.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 7.49
    ACD/LogD (pH 5.5): 5.84
    ACD/BCF (pH 5.5): 15944.45
    ACD/KOC (pH 5.5): 34923.06
    ACD/LogD (pH 7.4): 5.86
    ACD/BCF (pH 7.4): 16822.47
    ACD/KOC (pH 7.4): 36846.18
    Polar Surface Area: 69 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 46.6±7.0 dyne/cm
    Molar Volume: 404.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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