4-{6-[5-(4-Methyl-1-Piperazinyl)-1H-Imidazo[4,5-B]Pyridin-2-Yl]-1,3-Benzoxazol-2(3H)-Ylidene}-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C24H22N6O2
IUPAC Name 4-[6-[5-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-1-ium-5-ylium-2-yl]-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
Molecular Mass 426.470 g·mol−1
Heat of Formation 363.1 ± 16.7 kJ·mol−1
Dipole Moment 8.58 ± 1.08 D
Volume 485.89 Å 3
Surface Area 438.93 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(5-(5-(4-methyl-1-piperazinyl)-1h-imidazo(4,5-b)pyridin-2-yl)-2-benzoxazolyl)phenol
  • 4-(6-(5-(4-methyl-1-piperazinyl)-1h-imidazo(4,5-b)pyridin-2-yl)-2-benzoxazolyl)phenol
  • 4-[6-[5-(4-methyl-1-piperazinyl)-1h-imidazo[4,5-b]pyridin-2-yl]-3h-1,3-benzoxazol-2-ylidene]-1-cyclohexa-2,5-dienone
  • 4-[6-[5-(4-methylpiperazin-1-yl)-1h-imidazo[4,5-b]pyridin-2-yl]-3h-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
  • b2-hoe-33258
  • phenol, 4-(5-(5-(4-methyl-1-piperazinyl)-1h-imidazo(4,5-b)pyridin-2-yl)-2-benzoxazolyl)-
CAS Number(s)
  • 126824-07-5
  • 126898-32-6
InChIKey FGAQBVDXWVFLKM-UHFFFAOYSA-N
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