ChemSpider 2D Image | (3Z)-3-Benzylidene-6-{[5-(2-methyl-2-propanyl)-1H-imidazol-4-yl]methylene}-2,5-piperazinedione | C19H20N4O2

(3Z)-3-Benzylidene-6-{[5-(2-methyl-2-propanyl)-1H-imidazol-4-yl]methylene}-2,5-piperazinedione

  • Molecular FormulaC19H20N4O2
  • Average mass336.388 Da
  • Monoisotopic mass336.158630 Da
  • ChemSpider ID45382220

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-Benzyliden-6-{[5-(2-methyl-2-propanyl)-1H-imidazol-4-yl]methylen}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3Z)-3-Benzylidene-6-{[5-(2-methyl-2-propanyl)-1H-imidazol-4-yl]methylene}-2,5-piperazinedione [ACD/IUPAC Name]
(3Z)-3-Benzylidène-6-{[5-(2-méthyl-2-propanyl)-1H-imidazol-4-yl]méthylène}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[5-(1,1-dimethylethyl)-1H-imidazol-4-yl]methylene]-6-(phenylmethylene)-, (6Z)- [ACD/Index Name]
(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione
714272-27-2 [RN]
MFCD30179479
Plinabulin (NPI-2358)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 8.18
ACD/KOC (pH 5.5): 137.14
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.04
ACD/KOC (pH 7.4): 201.91
Polar Surface Area: 87 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 265.3±3.0 cm3

Click to predict properties on the Chemicalize site


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