6-(4-Methyl-1-Piperazinyl)-2'-(4-Propoxyphenyl)-1H,3'H-2,5'-Bibenzimidazole

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Properties Simple | Detailed

Formula C28H30N6O
IUPAC Name 6-(4-methylpiperazin-1-yl)-2-(2-phenyl-3h-benzimidazol-1-ium-5-id-5-yl)-1h-benzimidazol-3-ium-6-ide; prop-1-yn-1-olate
Molecular Mass 466.577 g·mol−1
Heat of Formation 1284.4 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 513.58 Å 3
Surface Area 447.28 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5'-bi-1h-benzimidazole, 5-(4-methyl-1-piperazinyl)-2'-(4-propoxyphenyl)-
  • 2,5'-bibenzimidazole, 5-(4-methyl-1-piperazinyl)-2'-(p-propoxyphenyl)-
  • 6-(4-methyl-1-piperazinyl)-2-[2-(4-propoxyphenyl)-3h-benzimidazol-5-yl]-1h-benzimidazole
  • 6-(4-methylpiperazin-1-yl)-2-[2-(4-propoxyphenyl)-3h-benzimidazol-5-yl]-1h-benzimidazole
  • h-33378
  • hoe-33378
CAS Number(s)
  • 23491-51-2
  • 98112-81-3
InChIKey CMZLMVLQQIBYIC-UHFFFAOYSA-N
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