4-[6-(2-Imidazolidinyl)-1',3'-Dihydro-1H,2'H-2,5'-Bibenzimidazol-2'-Ylidene]-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C23H20N6O
IUPAC Name 4-[5-(5-imidazolidin-2-ylbenzimidazol-3-ium-2-yl)benzimidazole-1,3-diium-2-ylidene]cyclohexa-2,5-dien-1-one
Molecular Mass 396.445 g·mol−1
Heat of Formation 461.5 ± 16.7 kJ·mol−1
Dipole Moment 8.58 ± 1.08 D
Volume 453.55 Å 3
Surface Area 412.81 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-(6-imidazolidin-2-yl-1h-benzimidazol-2-yl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
  • 4-[5-[6-(2-imidazolidinyl)-1h-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]-1-cyclohexa-2,5-dienone
  • 5-(2-imidazolinyl)-2-[2-(4-hydroxyphenyl)-5-benzimidazolyl]benzimidazole
InChIKey AXJQJMHOTBJYAZ-UHFFFAOYSA-N
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