ChemSpider 2D Image | 1-[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl]-3-(6-fluoro-1H-indol-1-yl)-1-propanone | C22H21FN4O

1-[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl]-3-(6-fluoro-1H-indol-1-yl)-1-propanone

  • Molecular FormulaC22H21FN4O
  • Average mass376.427 Da
  • Monoisotopic mass376.169952 Da
  • ChemSpider ID30718697

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl]-3-(6-fluor-1H-indol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl]-3-(6-fluoro-1H-indol-1-yl)-1-propanone [ACD/IUPAC Name]
1-[(2S)-2-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl]-3-(6-fluoro-1H-indol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-(6-fluoro-1H-indol-1-yl)- [ACD/Index Name]
(S)-1-(2-(1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-(6-fluoro-1H-indol-1-yl)propan-1-one
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(6-fluoro-1H-indol-1-yl)propan-1-one
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(6-fluoroindol-1-yl)propan-1-one
1574296-66-4 [RN]
2-{(2S)-1-[3-(6-fluoro-1H-indol-1-yl)propanoyl]pyrrolidin-2-yl}-1H-benzimidazole

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 687.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±3.0 kJ/mol
    Flash Point: 369.3±31.5 °C
    Index of Refraction: 1.696
    Molar Refractivity: 105.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.56
    ACD/LogD (pH 5.5): 3.47
    ACD/BCF (pH 5.5): 206.35
    ACD/KOC (pH 5.5): 1221.03
    ACD/LogD (pH 7.4): 3.86
    ACD/BCF (pH 7.4): 500.59
    ACD/KOC (pH 7.4): 2962.17
    Polar Surface Area: 54 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 53.3±7.0 dyne/cm
    Molar Volume: 275.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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