ChemSpider 2D Image | N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-(1H-pyrazol-1-yl)butanamide | C21H29N5O

N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-(1H-pyrazol-1-yl)butanamide

  • Molecular FormulaC21H29N5O
  • Average mass367.488 Da
  • Monoisotopic mass367.237213 Da
  • ChemSpider ID32514501

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-1-butanamide, N-[(1S)-2-methyl-1-[1-(1-methylethyl)-1H-benzimidazol-2-yl]propyl]- [ACD/Index Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-(1H-pyrazol-1-yl)butanamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-(1H-pyrazol-1-yl)butanamide [ACD/IUPAC Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-méthylpropyl]-4-(1H-pyrazol-1-yl)butanamide [French] [ACD/IUPAC Name]
1630918-20-5 [RN]
N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 592.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±3.0 kJ/mol
    Flash Point: 312.3±25.9 °C
    Index of Refraction: 1.609
    Molar Refractivity: 108.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): 3.15
    ACD/BCF (pH 5.5): 132.05
    ACD/KOC (pH 5.5): 1018.12
    ACD/LogD (pH 7.4): 3.33
    ACD/BCF (pH 7.4): 199.68
    ACD/KOC (pH 7.4): 1539.47
    Polar Surface Area: 65 Å2
    Polarizability: 43.2±0.5 10-24cm3
    Surface Tension: 42.7±7.0 dyne/cm
    Molar Volume: 314.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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