ChemSpider 2D Image | 3-(4-Bromo-2-fluorophenyl)-1-[2-(1-ethyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-propanone | C22H23BrFN3O

3-(4-Bromo-2-fluorophenyl)-1-[2-(1-ethyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-propanone

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID31791254

More details:

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

1-Propanone, 3-(4-bromo-2-fluorophenyl)-1-[2-(1-ethyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]- [ACD/Index Name]
3-(4-Brom-2-fluorphenyl)-1-[2-(1-ethyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-propanon [German] [ACD/IUPAC Name]
3-(4-Bromo-2-fluorophenyl)-1-[2-(1-ethyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-propanone [ACD/IUPAC Name]
3-(4-Bromo-2-fluorophényl)-1-[2-(1-éthyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 988.21
ACD/KOC (pH 5.5): 3848.46
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2187.74
ACD/KOC (pH 7.4): 8519.86
Polar Surface Area: 38 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 310.7±7.0 cm3

Click to predict properties on the Chemicalize site


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