3-(4-(2-Methylimidazo(4,5-C)Pyridin-1-Yl)Benzyl)-3H-Benzothiazol-2-One

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Formula C21H16N4OS
IUPAC Name 3-[[4-(2-methylimidazo[4,5-c]pyridine-3,5-diium-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one
Molecular Mass 372.443 g·mol−1
Heat of Formation 295.0 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 422.41 Å 3
Surface Area 365.3 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)benzyl]-3h-benzothiazol-2-one
  • 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzyl]-1,3-benzothiazol-2-one
  • 3-[[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]methyl]-1,3-benzothiazol-2-one
  • 3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one
  • cp-94,707
  • cp9
InChIKey WUOLYUKMMRCXGH-UHFFFAOYSA-N
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