4-[2-(4-{[1-(4-Fluorobenzyl)-1H-Benzimidazol-2-Yl]Amino}Piperidin-1-Yl)Ethyl]Phenol

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Properties Simple | Detailed

Formula C27H30FN4O
IUPAC Name 4-[2-[4-[[1-[(4-fluorobenzene-5-id-1-yl)methyl]benzimidazol-3-ium-7a-id-2-yl]amino]-1-piperidyl]ethyl]cyclohexa-2,5-dien-1-one
Molecular Mass 445.552 g·mol−1
Heat of Formation 643.0 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 539.95 Å 3
Surface Area 423.08 Å 2
HOMO Energy -6.87 ± 0.55 eV
LUMO Energy -4.52 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[4-[[1-(4-fluorobenzyl)benzimidazol-2-yl]amino]-1-piperidyl]ethyl]phenol
  • 4-[2-[4-[[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]amino]-1-piperidinyl]ethyl]phenol
  • 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-1-piperidyl]ethyl]phenol
  • 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenol
  • demethylastemizole
  • desmethylastemizole
  • phenol, 4-(2-(4-((1-((4-fluorophenyl)methyl)-1h-benzimidazol-2-yl)amino)-1-piperidinyl)ethyl)-
  • r 44 271
  • r-44-271
CAS Number(s)
  • 73736-50-2
InChIKey LAGYWHSFHIMTPE-UHFFFAOYSA-N
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