(5R)-2-Amino-5-[4-Fluoro-3-(5-Pyrimidinyl)Phenyl]-3-Methyl-5-[4-(Trifluoromethoxy)Phenyl]-3,5-Dihydro-4H-Imidazol-4-One

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Properties Simple | Detailed

Formula C21H15F4N5O2
IUPAC Name (5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-yl-phenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
Molecular Mass 445.370 g·mol−1
Heat of Formation -708.7 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 469.39 Å 3
Surface Area 409.02 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-yl-phenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
  • (5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
  • (5r)-2-amino-5-[4-fluoro-3-(5-pyrimidinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-4-imidazolone
InChIKey RNJTYVPMRSKRKE-HXUWFJFHSA-N
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