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

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Properties Simple | Detailed

Formula C15H19N3O3
IUPAC Name 5-ethyl-2-[(4r)-4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl]pyridine-3-carboxylic acid
Molecular Mass 289.330 g·mol−1
Heat of Formation -428.9 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 353.1 Å 3
Surface Area 303.55 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethyl-2-[(4r)-4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl]-3-pyridinecarboxylic acid
  • 5-ethyl-2-[(4r)-4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl]pyridine-3-carboxylic acid
  • 5-ethyl-2-[(4r)-4-isopropyl-5-keto-4-methyl-1h-imidazol-2-yl]nicotinic acid
  • 5-ethyl-2-[(4r)-4-methyl-5-oxo-4-propan-2-yl-1h-imidazol-2-yl]pyridine-3-carboxylic acid
InChIKey XVOKUMIPKHGGTN-OAHLLOKOSA-N
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