ChemSpider 2D Image | N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide | C22H31N7O

N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide

  • Molecular FormulaC22H31N7O
  • Average mass409.528 Da
  • Monoisotopic mass409.259003 Da
  • ChemSpider ID32513290

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[(1S)-2-methyl-1-[1-(1-methylethyl)-1H-benzimidazol-2-yl]propyl]-1-(1H-tetrazol-1-yl)- [ACD/Index Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-1-(1H-tetrazol-1-yl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide [ACD/IUPAC Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-méthylpropyl]-1-(1H-tétrazol-1-yl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
2060846-12-8 [RN]
N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.665
    Molar Refractivity: 117.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 2.86
    ACD/BCF (pH 5.5): 79.30
    ACD/KOC (pH 5.5): 709.97
    ACD/LogD (pH 7.4): 3.03
    ACD/BCF (pH 7.4): 118.02
    ACD/KOC (pH 7.4): 1056.67
    Polar Surface Area: 91 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 50.0±7.0 dyne/cm
    Molar Volume: 316.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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