ChemSpider 2D Image | (6E)-3-Isopropyl-6-{[4-(2-methyl-3-buten-2-yl)-1H-imidazol-5-yl]methylene}-2,5-piperazinedione | C16H22N4O2

(6E)-3-Isopropyl-6-{[4-(2-methyl-3-buten-2-yl)-1H-imidazol-5-yl]methylene}-2,5-piperazinedione

  • Molecular FormulaC16H22N4O2
  • Average mass302.371 Da
  • Monoisotopic mass302.174286 Da
  • ChemSpider ID24633947

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6E)-3-Isopropyl-6-{[4-(2-methyl-3-buten-2-yl)-1H-imidazol-5-yl]methylen}-2,5-piperazindion [German] [ACD/IUPAC Name]
(6E)-3-Isopropyl-6-{[4-(2-methyl-3-buten-2-yl)-1H-imidazol-5-yl]methylene}-2,5-piperazinedione [ACD/IUPAC Name]
(6E)-3-Isopropyl-6-{[4-(2-méthyl-3-butén-2-yl)-1H-imidazol-5-yl]méthylène}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[5-(1,1-dimethyl-2-propen-1-yl)-1H-imidazol-4-yl]methylene]-6-(1-methylethyl)-, (3E)- [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: 649.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 85.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.55
ACD/KOC (pH 5.5): 82.39
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 96.40
Polar Surface Area: 87 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 261.2±3.0 cm3

Click to predict properties on the Chemicalize site


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