N-[4-({3-[2-(Methylamino)-4-Pyrimidinyl]-2-Pyridinyl}Oxy)-1-Naphthyl]-6-(Trifluoromethyl)-1H-Benzimidazol-2-Amine

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Properties Simple | Detailed

Formula C28H20F3N7O
IUPAC Name n-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridyl]oxy]-1-naphthyl]-5-(trifluoromethyl)benzimidazol-3-ium-2-amine
Molecular Mass 527.500 g·mol−1
Heat of Formation -78.2 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 575.1 Å 3
Surface Area 501.24 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[[3-(2-methylaminopyrimidin-4-yl)-2-pyridyl]oxy]-1-naphthyl]-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]amine
  • n-[4-[3-(2-methylaminopyrimidin-4-yl)pyridin-2-yl]oxynaphthalen-1-yl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine
  • n-[4-[[3-(2-methylamino-4-pyrimidinyl)-2-pyridyl]oxy]-1-naphthyl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine
  • n-[4-[[3-(2-methylaminopyrimidin-4-yl)-2-pyridyl]oxy]-1-naphthyl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine
InChIKey VIHXUAKPZPXVSW-UHFFFAOYSA-N
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