1-Cyclopropyl-3-{[1-(4-Hydroxybutyl)-1H-Benzimidazol-2-Yl]Methyl}-1,3-Dihydro-2H-Imidazo[4,5-C]Pyridin-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H23N5O2
IUPAC Name 1-cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-1-ium-2-ylium-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
Molecular Mass 377.440 g·mol−1
Heat of Formation 106.4 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 455.34 Å 3
Surface Area 398.19 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-imidazo[4,5-c]pyridin-2-one, 1-cyclopropyl-1,3-dihydro-3-[[1-(3-hydroxypropyl)-1h-benzimidazol-2-yl]methyl]-
  • bms-433771
CAS Number(s)
  • 380603-10-1
InChIKey KSHJXDWYTZJUEI-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N