ChemSpider 2D Image | [(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl][5-fluoro-2-(1H-tetrazol-1-yl)phenyl]methanone | C19H16FN7O

[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl][5-fluoro-2-(1H-tetrazol-1-yl)phenyl]methanone

  • Molecular FormulaC19H16FN7O
  • Average mass377.375 Da
  • Monoisotopic mass377.140045 Da
  • ChemSpider ID30720418

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl][5-fluor-2-(1H-tetrazol-1-yl)phenyl]methanon [German] [ACD/IUPAC Name]
[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl][5-fluoro-2-(1H-tetrazol-1-yl)phenyl]methanone [ACD/IUPAC Name]
[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl][5-fluoro-2-(1H-tétrazol-1-yl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl][5-fluoro-2-(1H-tetrazol-1-yl)phenyl]- [ACD/Index Name]
(S)-(2-(1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)(5-fluoro-2-(1H-tetrazol-1-yl)phenyl)methanone
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl][5-fluoro-2-(1H-tetrazol-1-yl)phenyl]methanone
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-fluoro-2-(tetrazol-1-yl)phenyl]methanone
1574400-29-5 [RN]
2-{(2S)-1-[5-fluoro-2-(1H-tetrazol-1-yl)benzoyl]pyrrolidin-2-yl}-1H-benzimidazole

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 712.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.2±3.0 kJ/mol
    Flash Point: 384.7±35.7 °C
    Index of Refraction: 1.781
    Molar Refractivity: 101.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.86
    ACD/LogD (pH 5.5): 0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.53
    ACD/LogD (pH 7.4): 0.68
    ACD/BCF (pH 7.4): 1.92
    ACD/KOC (pH 7.4): 55.16
    Polar Surface Area: 93 Å2
    Polarizability: 40.1±0.5 10-24cm3
    Surface Tension: 65.9±7.0 dyne/cm
    Molar Volume: 241.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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