5-Cyclopropyl-7-(2,6-Dimethyl-4-Pyridinyl)-8-Fluoro-2-Hydroxypyrimido[1,6-A]Benzimidazole-1,3(2H,5H)-Dione

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Properties Simple | Detailed

Formula C20H17FN4O3
IUPAC Name 5-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-8-fluoro-2-hydroxy-6,9-dihydro-4h-pyrimido[1,6-a]benzimidazole-4,4a,5a,6,7,8,9,9a-octaide-1,3-dione
Molecular Mass 380.372 g·mol−1
Heat of Formation -189.5 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 421.9 Å 3
Surface Area 375.49 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxypyrimido(1,6-a)benzimidazole-1,3(2h,5h)-dione
  • 5-cyclopropyl-7-(2,6-dimethyl-4-pyridiyl)-8-fluoro-2-hydroxypyrimido(1,6-a)benzimidazole-1,3(2h,5h)-dione
  • 5-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-8-fluoro-2-hydroxy-pyrimido[1,6-a]benzimidazole-1,3-dione
  • 5-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-8-fluoro-2-hydroxy-pyrimido[1,6-a]benzimidazole-1,3-quinone
  • 5-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-8-fluoro-2-hydroxypyrimido[1,6-a]benzimidazole-1,3-dione
  • 5-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-8-fluoro-2-hydroxy-pyrimido[1,6-a]benzimidazole-1,3-dione
  • 5-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-8-fluoro-2-hydroxypyrimido[1,6-a]benzimidazole-1,3-dione
  • pyrimido(1,6-a)benzimidazole-1,3(2h,5h)-dione, 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxy-
  • pyrimido(1,6-a)benzimidazole-1,3(2h,5h)-dione, 5-cyclopropyl-7-(2,6-dimethyl-4-pyridiyl)-8-fluoro-2-hydroxy-
  • ro 47-3359
  • ro-47-3359
CAS Number(s)
  • 155144-64-2
InChIKey SSMFYBHQLFTJSA-UHFFFAOYSA-N
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