ChemSpider 2D Image | 4-{5-Oxo-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-b]pyridin-7-yl}benzonitrile | C20H13F3N4O

4-{5-Oxo-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-b]pyridin-7-yl}benzonitrile

  • Molecular FormulaC20H13F3N4O
  • Average mass382.339 Da
  • Monoisotopic mass382.104156 Da
  • ChemSpider ID26040887

More details:

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

4-{5-Oxo-3-[4-(trifluormethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-b]pyridin-7-yl}benzonitril [German] [ACD/IUPAC Name]
4-{5-Oxo-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-b]pyridin-7-yl}benzonitrile [ACD/IUPAC Name]
4-{5-Oxo-3-[4-(trifluorométhyl)phényl]-4,5,6,7-tétrahydro-3H-imidazo[4,5-b]pyridin-7-yl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[4,5,6,7-tetrahydro-5-oxo-3-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]- [ACD/Index Name]
1190267-91-4 [RN]
4-[5-Hydroxy-3-(4-trifluoromethyl-phenyl)-6,7-dihydro-3H-imidazo[4,5-b]pyridin-7-yl]-benzonitrile
4-[5-oxo-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
4-{5-hydroxy-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-3H-imidazo[4,5-b]pyridin-7-yl}benzonitrile
AGN-PC-07CU64
AKOS005665195
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 576.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.8±3.0 kJ/mol
    Flash Point: 302.5±32.9 °C
    Index of Refraction: 1.646
    Molar Refractivity: 97.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.33
    ACD/LogD (pH 5.5): 3.05
    ACD/BCF (pH 5.5): 116.49
    ACD/KOC (pH 5.5): 983.91
    ACD/LogD (pH 7.4): 3.05
    ACD/BCF (pH 7.4): 115.01
    ACD/KOC (pH 7.4): 971.45
    Polar Surface Area: 74 Å2
    Polarizability: 38.7±0.5 10-24cm3
    Surface Tension: 48.5±7.0 dyne/cm
    Molar Volume: 268.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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