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

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

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID23429056

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]-2-fluoro- [ACD/Index Name]
N-{5-[1-(2-Brom-2-propen-1-yl)-1H-benzimidazol-2-yl]pentyl}-2-fluorbenzamid [German] [ACD/IUPAC Name]
N-{5-[1-(2-Bromo-2-propen-1-yl)-1H-benzimidazol-2-yl]pentyl}-2-fluorobenzamide [ACD/IUPAC Name]
N-{5-[1-(2-Bromo-2-propén-1-yl)-1H-benzimidazol-2-yl]pentyl}-2-fluorobenzamide [French] [ACD/IUPAC Name]
N-{5-[1-(2-Bromoprop-2-en-1-yl)-1H-benzimidazol-2-yl]pentyl}-2-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: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.7±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: 5.31
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1277.43
ACD/KOC (pH 5.5): 4765.60
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2551.89
ACD/KOC (pH 7.4): 9520.11
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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