5-(5,6-Dimethoxy-1H-Benzimidazol-1-Yl)-3-((2-(Trifluoromethyl)Benzyl)Oxy)Thiophene-2-Carboxamide

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Properties Simple | Detailed

Formula C22H17F3N3O4S
IUPAC Name 3-[5-(5,6-dihydro-4h-benzimidazol-3-ium-4,5,6-triid-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thienyl]oxazirene; methanone
Molecular Mass 476.448 g·mol−1
Heat of Formation 182.7 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 517.94 Å 3
Surface Area 451.91 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamide
  • 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzyl]oxy-thiophene-2-carboxamide
  • 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
InChIKey JSKUWFIZUALZLX-UHFFFAOYSA-N
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