4-[({2-[2-(4-Pyridinyl)-4,5-Dihydro-1H-Imidazol-1-Yl]Ethyl}Carbamoyl)Amino]Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C18H19N5O3
IUPAC Name 4-[2-[2-(4-pyridyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoic acid
Molecular Mass 353.375 g·mol−1
Heat of Formation -229.0 ± 16.7 kJ·mol−1
Dipole Moment 9.86 ± 1.08 D
Volume 411.56 Å 3
Surface Area 344.82 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea
  • 4-[2-(2-pyridin-4-yl-4,5-dihydroimidazol-1-yl)ethylcarbamoylamino]benzoic acid
  • 4-[[oxo-[2-[2-(4-pyridyl)-4,5-dihydroimidazol-1-yl]ethylamino]methyl]amino]benzoic acid
  • benzoic acid, 4-((((2-(4,5-dihydro-2-(4-pyridinyl)-1h-imidazol-1-yl)ethyl)amino)carbonyl)amino)-
  • cgp 15720 a
  • cgp 15720a
CAS Number(s)
  • 73998-69-3
InChIKey QBVPWMWOTZZZRZ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N