(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

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Properties Simple | Detailed

Formula C25H26IN6O
IUPAC Name (4e)-2-iodo-4-[5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-3-ium-6-id-2-yl]-1,3-dihydrobenzimidazole-5,7a-diid-2-ylidene]cyclohexa-2,5-dien-1-one
Molecular Mass 553.418 g·mol−1
Heat of Formation 524.2 ± 16.7 kJ·mol−1
Dipole Moment 15.41 ± 1.08 D
Volume 535.81 Å 3
Surface Area 474.97 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • (4e)-2-iodo-4-[5-[6-(4-methyl-1-piperazinyl)-1h-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]-1-cyclohexa-2,5-dienone
  • (4e)-2-iodo-4-[5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
  • 2-(2-(3-iodo-4-hydroxyphenyl)-6-benzimidazolyl)-6-(1-methyl-4-piperazyl)benzimidazole
  • iodohoechst 33258
  • phenol, 2-iodo-4-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1h-benzimidazol)-2'-yl)-
CAS Number(s)
  • 106050-84-4
InChIKey ZIZURNQOGKSUHV-BUVRLJJBSA-N
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