4-Fluoro-6-Methyl-1-[1-(Tetrahydro-2H-Pyran-4-Yl)-4-Piperidinyl]-1,3-Dihydro-2H-Benzimidazol-2-One

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Properties Simple | Detailed

Formula C18H24FN3O2
IUPAC Name 4-fluoro-6-methyl-1-(1-tetrahydropyran-4-yl-4-piperidyl)benzimidazole-1,3-diium-2-one
Molecular Mass 333.400 g·mol−1
Heat of Formation -455.5 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 394.62 Å 3
Surface Area 346.56 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 7-fluoro-5-methyl-3-(1-tetrahydropyran-4-yl-4-piperidyl)-1h-benzimidazol-2-one
  • 7-fluoro-5-methyl-3-[1-(4-tetrahydropyranyl)-4-piperidinyl]-1h-benzimidazol-2-one
  • 7-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1h-benzimidazol-2-one
InChIKey KRRSQJOVDWYKHH-UHFFFAOYSA-N
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