2-Butyl-5-{[(~11~C)Methyloxy]Methyl}-6-(1-Oxido-2-Pyridinyl)-3-{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-3H-Imidazo[4,5-B]Pyridine

Molecule SVG Image

Properties Simple | Detailed

Formula C31H30N8O2
IUPAC Name 2-butyl-5-((111c)methoxymethyl)-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Molecular Mass 545.623 g·mol−1
Heat of Formation 617.4 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 653.03 Å 3
Surface Area 540.59 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butyl-5-[11c]methoxymethyl-6-(1-oxopyridin-2-yl)-3-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-3h-imidazo[4,5-b]pyridine
  • [11c]kr31173
InChIKey KTIHPEHEYAUWHK-JVVVGQRLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N