ChemSpider 2D Image | 1-Butyl-2-(4-fluorophenyl)-1H-benzimidazole-6-carbonitrile | C18H16FN3

1-Butyl-2-(4-fluorophenyl)-1H-benzimidazole-6-carbonitrile

  • Molecular FormulaC18H16FN3
  • Average mass293.338 Da
  • Monoisotopic mass293.132813 Da
  • ChemSpider ID24732939

More details:

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

1-Butyl-2-(4-fluorophenyl)-1H-benzimidazole-6-carbonitrile [ACD/IUPAC Name]
1-Butyl-2-(4-fluorophényl)-1H-benzimidazole-6-carbonitrile [French] [ACD/IUPAC Name]
1-Butyl-2-(4-fluorphenyl)-1H-benzimidazol-6-carbonitril [German] [ACD/IUPAC Name]
1H-Benzimidazole-6-carbonitrile, 1-butyl-2-(4-fluorophenyl)- [ACD/Index Name]
748812-44-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 471.7±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.1±30.4 °C
Index of Refraction: 1.605
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 669.43
ACD/KOC (pH 5.5): 3658.95
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 674.20
ACD/KOC (pH 7.4): 3684.98
Polar Surface Area: 42 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 251.1±7.0 cm3

Click to predict properties on the Chemicalize site


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