ChemSpider 2D Image | 1H-Benzimidazol-5-yl[4-(1H-purin-6-yl)-1-piperazinyl]methanone | C17H16N8O

1H-Benzimidazol-5-yl[4-(1H-purin-6-yl)-1-piperazinyl]methanone

  • Molecular FormulaC17H16N8O
  • Average mass348.362 Da
  • Monoisotopic mass348.144714 Da
  • ChemSpider ID26035729

More details:

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

1H-Benzimidazol-5-yl[4-(1H-purin-6-yl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
1H-Benzimidazol-5-yl[4-(1H-purin-6-yl)-1-piperazinyl]methanone [ACD/IUPAC Name]
1H-Benzimidazol-5-yl[4-(1H-purin-6-yl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, 1H-benzimidazol-6-yl[4-(9H-purin-6-yl)-1-piperazinyl]- [ACD/Index Name]
(3H-Benzoimidazol-5-yl)-[4-(9H-purin-6-yl)-piperazin-1-yl]-methanone
1190296-22-0 [RN]
1H-benzimidazol-6-yl[4-(9H-purin-6-yl)piperazin-1-yl]methanone
3H-benzimidazol-5-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 832.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 120.9±3.0 kJ/mol
    Flash Point: 457.0±34.3 °C
    Index of Refraction: 1.792
    Molar Refractivity: 96.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.10
    ACD/LogD (pH 5.5): -0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.78
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.74
    ACD/KOC (pH 7.4): 49.71
    Polar Surface Area: 107 Å2
    Polarizability: 38.3±0.5 10-24cm3
    Surface Tension: 100.7±3.0 dyne/cm
    Molar Volume: 227.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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