1-Methyl-5-({2-[4-(Trifluoromethyl)-1H-Imidazol-2-Yl]-4-Pyridinyl}Oxy)-N-[4-(Trifluoromethyl)Phenyl]-1H-Benzimidazol-2-Amine

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Properties Simple | Detailed

Formula C24H16F6N6O
IUPAC Name 1-methyl-5-[[2-[5-(trifluoromethyl)imidazol-1-ium-2-ylium-2-yl]-4-pyridyl]oxy]-n-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
Molecular Mass 518.414 g·mol−1
Heat of Formation -840.2 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 536.76 Å 3
Surface Area 480.55 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-5-[2-[4-(trifluoromethyl)-3h-imidazol-2-yl]pyridin-4-yl]oxy-n-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
  • 1-methyl-5-[[2-[4-(trifluoromethyl)-3h-imidazol-2-yl]-4-pyridyl]oxy]-n-[4-(trifluoromethyl)phenyl]-2-benzimidazolamine
  • 1-methyl-5-[[2-[4-(trifluoromethyl)-3h-imidazol-2-yl]-4-pyridyl]oxy]-n-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
  • [1-methyl-5-[[2-[4-(trifluoromethyl)-3h-imidazol-2-yl]-4-pyridyl]oxy]benzimidazol-2-yl]-[4-(trifluoromethyl)phenyl]amine
InChIKey YABJJWZLRMPFSI-UHFFFAOYSA-N
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