1-Ethyl-3-[6-(5-Fluoro-3-Pyridinyl)-4-(2-Pyrimidinyl)-1H-Benzimidazol-2-Yl]Urea

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Properties Simple | Detailed

Formula C19H16FN7O
IUPAC Name 1-ethyl-3-[6-(5-fluoro-3-pyridyl)-4-pyrimidin-2-yl-benzimidazol-3-ium-2-yl]urea
Molecular Mass 377.375 g·mol−1
Heat of Formation 115.2 ± 16.7 kJ·mol−1
Dipole Moment 8.66 ± 1.08 D
Volume 421.38 Å 3
Surface Area 386.79 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-1-[6-(5-fluoro-3-pyridyl)-4-(2-pyrimidinyl)-1h-benzimidazol-2-yl]urea
  • 3-ethyl-1-[6-(5-fluoro-3-pyridyl)-4-pyrimidin-2-yl-1h-benzimidazol-2-yl]urea
  • 3-ethyl-1-[6-(5-fluoropyridin-3-yl)-4-pyrimidin-2-yl-1h-benzimidazol-2-yl]urea
InChIKey FKCGKEHVIVGGDU-UHFFFAOYSA-N
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