4-(4-Fluorophenyl)-2-(4-Hydroxy-1-Butynyl)-1-(3-Phenylpropyl)-5-(4-Pyridyl)Imidazole

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Properties Simple | Detailed

Formula C27H24FN3O
IUPAC Name 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(3h-pyridin-1-ium-3-id-4-yl)imidazol-3-ium-5-id-2-yl]but-3-yn-1-olate
Molecular Mass 425.497 g·mol−1
Heat of Formation 227.3 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 521.24 Å 3
Surface Area 420.55 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • 3-butyn-1-ol, 4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1h-imidazol-2-yl)-
  • 3-butyn-1-ol, 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1h-imidazol-2-yl]-
  • 4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1h-imidazol-2-yl)-3-butyn-1-ol
  • 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)-2-imidazolyl]but-3-yn-1-ol
  • 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)imidazol-2-yl]but-3-yn-1-ol
  • 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-imidazol-2-yl]but-3-yn-1-ol
  • 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-ylimidazol-2-yl]but-3-yn-1-ol
  • rwj 67657
  • rwj67657
CAS Number(s)
  • 215303-72-3
InChIKey QSUSKMBNZQHHPA-UHFFFAOYSA-N
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