ChemSpider 2D Image | 1-{[1-(4-Fluorobenzyl)-1H-imidazol-2-yl]methyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea | C22H32FN5O2

1-{[1-(4-Fluorobenzyl)-1H-imidazol-2-yl]methyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea

  • Molecular FormulaC22H32FN5O2
  • Average mass417.520 Da
  • Monoisotopic mass417.253998 Da
  • ChemSpider ID21553848

More details:

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

1-{[1-(4-Fluorbenzyl)-1H-imidazol-2-yl]methyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-{[1-(4-Fluorobenzyl)-1H-imidazol-2-yl]methyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea [ACD/IUPAC Name]
1-{[1-(4-Fluorobenzyl)-1H-imidazol-2-yl]méthyl}-3-(2-méthyl-2-propanyl)-1-[2-(4-morpholinyl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N'-(1,1-dimethylethyl)-N-[[1-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]methyl]-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.8±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.54
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 93.28
ACD/KOC (pH 7.4): 825.57
Polar Surface Area: 63 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 352.2±7.0 cm3

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