ChemSpider 2D Image | 4-{(Z)-[(5Z)-5-(3-Fluorobenzylidene)-3,6-dioxo-2-piperazinylidene]methyl}-5-(2-methyl-2-propanyl)-1H-imidazol-3-ium | C19H20FN4O2

4-{(Z)-[(5Z)-5-(3-Fluorobenzylidene)-3,6-dioxo-2-piperazinylidene]methyl}-5-(2-methyl-2-propanyl)-1H-imidazol-3-ium

  • Molecular FormulaC19H20FN4O2
  • Average mass355.386 Da
  • Monoisotopic mass355.156494 Da
  • ChemSpider ID21204748
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

1H-Imidazolium, 5-(1,1-dimethylethyl)-4-[(Z)-[(5Z)-5-[(3-fluorophenyl)methylene]-3,6-dioxo-2-piperazinylidene]methyl]- [ACD/Index Name]
4-{(Z)-[(5Z)-5-(3-Fluorbenzyliden)-3,6-dioxo-2-piperazinyliden]methyl}-5-(2-methyl-2-propanyl)-1H-imidazol-3-ium [German] [ACD/IUPAC Name]
4-{(Z)-[(5Z)-5-(3-Fluorobenzylidene)-3,6-dioxo-2-piperazinylidene]methyl}-5-(2-methyl-2-propanyl)-1H-imidazol-3-ium [ACD/IUPAC Name]
4-{(Z)-[(5Z)-5-(3-Fluorobenzylidène)-3,6-dioxo-2-pipérazinylidène]méthyl}-5-(2-méthyl-2-propanyl)-1H-imidazol-3-ium [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 726.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.00
ACD/KOC (pH 5.5): 178.48
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.59
ACD/KOC (pH 7.4): 236.72
Polar Surface Area: 88 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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