1-(1-{(2R)-2-[(2S)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-2-Hydroxyethyl}-4-Piperidinyl)-1,3-Dihydro-2H-Benzimidazol-2-One

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Properties Simple | Detailed

Formula C22H25N3O4
IUPAC Name 1-[1-[(2r)-2-[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-hydroxy-ethyl]-4-piperidyl]benzimidazole-1,3-diium-2-one
Molecular Mass 395.452 g·mol−1
Heat of Formation -440.0 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 462.04 Å 3
Surface Area 395.14 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[1-[(2r)-2-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-hydroxy-ethyl]-4-piperidyl]-1h-benzimidazol-2-one
  • 3-[1-[(2r)-2-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-hydroxy-ethyl]piperidin-4-yl]-1h-benzimidazol-2-one
  • 3-[1-[(2r)-2-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-hydroxyethyl]-4-piperidinyl]-1h-benzimidazol-2-one
InChIKey ZBPOBVZNVTZLGP-NQIIRXRSSA-N
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