ChemSpider 2D Image | (4E)-2-Iodo-4-[5-(4-methyl-1-piperazinyl)-1',3'-dihydro-2H,2'H-2,5'-bibenzimidazol-2'-ylidene]-2,5-cyclohexadien-1-one | C25H23IN6O

(4E)-2-Iodo-4-[5-(4-methyl-1-piperazinyl)-1',3'-dihydro-2H,2'H-2,5'-bibenzimidazol-2'-ylidene]-2,5-cyclohexadien-1-one

  • Molecular FormulaC25H23IN6O
  • Average mass550.394 Da
  • Monoisotopic mass550.097778 Da
  • ChemSpider ID111289639

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-2-Iod-4-[5-(4-methyl-1-piperazinyl)-1',3'-dihydro-2H,2'H-2,5'-bibenzimidazol-2'-yliden]-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(4E)-2-Iodo-4-[5-(4-methyl-1-piperazinyl)-1',3'-dihydro-2H,2'H-2,5'-bibenzimidazol-2'-ylidene]-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
(4E)-2-Iodo-4-[5-(4-méthyl-1-pipérazinyl)-1',3'-dihydro-2H,2'H-2,5'-bibenzimidazol-2'-ylidène]-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,5-Cyclohexadien-1-one, 4-[1',3'-dihydro-5-(4-methyl-1-piperazinyl)[2,5'-bi-2H-benzimidazol]-2'-ylidene]-2-iodo-, (4E)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 571.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.7±32.9 °C
Index of Refraction: 1.800
Molar Refractivity: 135.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.92
Polar Surface Area: 72 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 318.0±7.0 cm3

Click to predict properties on the Chemicalize site


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