ChemSpider 2D Image | N-{[5-(2-Chlorophenyl)-2-thienyl]methyl}-1-(2-fluorophenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine | C22H19ClFN3S

N-{[5-(2-Chlorophenyl)-2-thienyl]methyl}-1-(2-fluorophenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine

  • Molecular FormulaC22H19ClFN3S
  • Average mass411.923 Da
  • Monoisotopic mass411.097229 Da
  • ChemSpider ID30706346

More details:

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

1H-Imidazole-2-methanamine, N-[[5-(2-chlorophenyl)-2-thienyl]methyl]-α-(2-fluorophenyl)-1-methyl- [ACD/Index Name]
N-{[5-(2-Chlorophenyl)-2-thienyl]methyl}-1-(2-fluorophenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine [ACD/IUPAC Name]
N-{[5-(2-Chlorophényl)-2-thiényl]méthyl}-1-(2-fluorophényl)-1-(1-méthyl-1H-imidazol-2-yl)méthanamine [French] [ACD/IUPAC Name]
N-{[5-(2-Chlorphenyl)-2-thienyl]methyl}-1-(2-fluorphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.8±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 115.79
ACD/KOC (pH 5.5): 427.90
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2060.40
ACD/KOC (pH 7.4): 7614.33
Polar Surface Area: 58 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 318.6±7.0 cm3

Click to predict properties on the Chemicalize site


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