ChemSpider 2D Image | N-{5-[1-(2-Bromo-2-propen-1-yl)-1H-benzimidazol-2-yl]pentyl}-4-fluorobenzamide | C22H23BrFN3O

N-{5-[1-(2-Bromo-2-propen-1-yl)-1H-benzimidazol-2-yl]pentyl}-4-fluorobenzamide

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID23430838

More details:

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

Benzamide, N-[5-[1-(2-bromo-2-propen-1-yl)-1H-benzimidazol-2-yl]pentyl]-4-fluoro- [ACD/Index Name]
N-{5-[1-(2-Brom-2-propen-1-yl)-1H-benzimidazol-2-yl]pentyl}-4-fluorbenzamid [German] [ACD/IUPAC Name]
N-{5-[1-(2-Bromo-2-propen-1-yl)-1H-benzimidazol-2-yl]pentyl}-4-fluorobenzamide [ACD/IUPAC Name]
N-{5-[1-(2-Bromo-2-propén-1-yl)-1H-benzimidazol-2-yl]pentyl}-4-fluorobenzamide [French] [ACD/IUPAC Name]
N-{5-[1-(2-Bromoprop-2-en-1-yl)-1H-benzimidazol-2-yl]pentyl}-4-fluorobenzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.6±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2455.65
ACD/KOC (pH 5.5): 7606.02
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4910.33
ACD/KOC (pH 7.4): 15209.02
Polar Surface Area: 47 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 333.1±7.0 cm3

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