4-{(3-Cyanobenzyl)[(1-Methyl-1H-Imidazol-5-Yl)Methyl]Amino}-2-(1-Naphthyl)Benzonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C30H23N5
IUPAC Name 4-[(3-cyanophenyl)methyl-[(1-methyl-4h-imidazol-1-ium-4-ylium-5-yl)methyl]amino]-2-(1-naphthyl)benzonitrile
Molecular Mass 453.537 g·mol−1
Heat of Formation 766.4 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 560.16 Å 3
Surface Area 462.46 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3-cyano-benzyl)-(3-methyl-3h-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-yl-benzonitrile
  • 4-[(3-cyanobenzyl)-[(3-methylimidazol-4-yl)methyl]amino]-2-(1-naphthyl)benzonitrile
  • 4-[(3-cyanophenyl)methyl-[(3-methyl-4-imidazolyl)methyl]amino]-2-(1-naphthyl)benzonitrile
  • 4-[(3-cyanophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]-2-(1-naphthyl)benzonitrile
  • 4-[(3-cyanophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]-2-naphthalen-1-yl-benzonitrile
  • 4-[(3-cyanophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]-2-naphthalen-1-ylbenzonitrile
  • ftl
InChIKey IQZCODLAPFPVNS-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N