ChemSpider 2D Image | (4E)-2-Iodo-4-[6-(4-methyl-1-piperazinyl)-1',3'-dihydro-1H,2'H-2,5'-bibenzimidazol-2'-ylidene]-2,5-cyclohexadien-1-one | C25H23IN6O

(4E)-2-Iodo-4-[6-(4-methyl-1-piperazinyl)-1',3'-dihydro-1H,2'H-2,5'-bibenzimidazol-2'-ylidene]-2,5-cyclohexadien-1-one

  • Molecular FormulaC25H23IN6O
  • Average mass550.394 Da
  • Monoisotopic mass550.097778 Da
  • ChemSpider ID4589253
  • Double-bond stereo - Double-bond stereo


More details:






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

(4E)-2-Iod-4-[6-(4-methyl-1-piperazinyl)-1',3'-dihydro-1H,2'H-2,5'-bibenzimidazol-2'-yliden]-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(4E)-2-Iodo-4-[6-(4-methyl-1-piperazinyl)-1',3'-dihydro-1H,2'H-2,5'-bibenzimidazol-2'-ylidene]-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
(4E)-2-Iodo-4-[6-(4-méthyl-1-pipérazinyl)-1',3'-dihydro-1H,2'H-2,5'-bibenzimidazol-2'-ylidène]-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,5-Cyclohexadien-1-one, 2-iodo-4-[6-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'(3'H)-ylidene]-, (4E)- [ACD/Index Name]
106050-84-4 [RN]
2-(2-(3-Iodo-4-hydroxyphenyl)-6-benzimidazolyl)-6-(1-methyl-4-piperazyl)benzimidazole
2-(2-(3-IODO-4-HYDROXYPHENYL)-6-BENZO[D]IMIDAZOLYL)-6-(1-METHYL-4-PIPERAZYL)BENZO[D]IMIDAZOLE
2-IODO-4-[(2E)-5-[5-(4-METHYLPIPERAZIN-1-YL)-3H-1,3-BENZODIAZOL-2-YL]-1,3-DIHYDRO-1,3-BENZODIAZOL-2-YLIDENE]CYCLOHEXA-2,5-DIEN-1-ONE
Hoechst 33342 analog 2
Iodohoechst 33258
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 642.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±34.3 °C
Index of Refraction: 1.812
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 8.25
ACD/KOC (pH 7.4): 115.16
Polar Surface Area: 76 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 86.1±5.0 dyne/cm
Molar Volume: 317.8±5.0 cm3

Click to predict properties on the Chemicalize site






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