1-{1-[1-Hydroxy-1-(3,4,5-Trimethoxyphenyl)Propan-2-Yl]Piperidin-4-Yl}-1H-Benzimidazol-2-Ol

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Formula C24H31N3O5
IUPAC Name 1-[1-[(1r,2r)-2-hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]-4-piperidyl]benzimidazole-1,3-diium-2-one
Molecular Mass 441.520 g·mol−1
Heat of Formation -632.7 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 529.67 Å 3
Surface Area 436.8 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[1-[(1r,2r)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]-1h-benzimidazol-2-one
  • 3-[1-[(1r,2r)-2-hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]-4-piperidinyl]-1h-benzimidazol-2-one
  • 3-[1-[(1r,2r)-2-hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]-4-piperidyl]-1h-benzimidazol-2-one
InChIKey YFUCUIJREZMSCX-QRQCRPRQSA-N
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