4'-[(2-Cyclopropyl-7-Methyl-3H-Imidazo[4,5-B]Pyridin-3-Yl)Methyl]-2-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C24H21N3O2
IUPAC Name 2-[4-[(2-cyclopropyl-7-methyl-imidazo[4,5-b]pyridin-3-ium-2-ylium-3-yl)methyl]phenyl]benzoic acid
Molecular Mass 383.442 g·mol−1
Heat of Formation 104.7 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 462.84 Å 3
Surface Area 381.24 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-biphenyl)-2-carboxylic acid, 4'-((2-cyclopropyl-7-methyl-3h-imidazo(4,5-b)pyridin-3-yl)methyl)-
  • 2-[4-[(2-cyclopropyl-7-methyl-3-imidazo[5,4-b]pyridinyl)methyl]phenyl]benzoic acid
  • 2-[4-[(2-cyclopropyl-7-methyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]benzoic acid
  • 2-[4-[(2-cyclopropyl-7-methylimidazo[5,4-b]pyridin-3-yl)methyl]phenyl]benzoic acid
  • 3-((2'-carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3h-imidazo(4,5-b)pyridine
  • e 4177
  • e-4177
CAS Number(s)
  • 135070-05-2
InChIKey VWWMGPCUZVOLLK-UHFFFAOYSA-N
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