2-[(4R)-4-Isopropyl-4-Methyl-5-Oxo-4,5-Dihydro-1H-Imidazol-2-Yl]-5-Methylnicotinic Acid

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Properties Simple | Detailed

Formula C14H17N3O3
IUPAC Name 2-[(4r)-4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl]-5-methyl-pyridine-3-carboxylic acid
Molecular Mass 275.303 g·mol−1
Heat of Formation -407.0 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 332.7 Å 3
Surface Area 286.94 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4r)-4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl]-5-methyl-3-pyridinecarboxylic acid
  • 2-[(4r)-4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl]-5-methyl-pyridine-3-carboxylic acid
  • 2-[(4r)-4-isopropyl-5-keto-4-methyl-1h-imidazol-2-yl]-5-methyl-nicotinic acid
  • 5-methyl-2-[(4r)-4-methyl-5-oxo-4-propan-2-yl-1h-imidazol-2-yl]pyridine-3-carboxylic acid
InChIKey PVSGXWMWNRGTKE-CQSZACIVSA-N
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