4-[5-(4-Fluorophenyl)-2-(Methylsulfanyl)-1H-Imidazol-4-Yl]-N-[(1R)-1-Phenylethyl]-2-Pyridinamine

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Properties Simple | Detailed

Formula C23H21FN4S
IUPAC Name 4-[5-(4-fluorophenyl)-2-methylsulfanyl-imidazol-1-ium-5-ylium-4-yl]-n-[(1r)-1-phenylethyl]pyridin-2-amine
Molecular Mass 404.503 g·mol−1
Heat of Formation 234.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 491.67 Å 3
Surface Area 400.27 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-(4-fluorophenyl)-2-(methylthio)-1h-imidazol-4-yl]-n-[(1r)-1-phenylethyl]-2-pyridinamine
  • 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1h-imidazol-4-yl]-n-[(1r)-1-phenylethyl]pyridin-2-amine
  • [4-[5-(4-fluorophenyl)-2-(methylthio)-1h-imidazol-4-yl]-2-pyridyl]-[(1r)-1-phenylethyl]amine
InChIKey VXPWQNBKEIVYIS-OAHLLOKOSA-N
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Elements H S N C F