Methyl 2-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-1H-Benzimidazole-4-Carboxylate

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Properties Simple | Detailed

Formula C19H18N2O4
IUPAC Name methyl 2-[(e)-2-(3,4-dimethoxyphenyl)vinyl]benzimidazol-1-ium-4-carboxylate
Molecular Mass 338.357 g·mol−1
Heat of Formation -272.8 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 391.79 Å 3
Surface Area 366.48 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-1h-benzimidazole-4-carboxylic acid methyl ester
  • ale 36
  • ale-36
  • methyl 2-(3,4-dimethoxystyryl)benzimidazole-4-carboxylate
  • methyl 2-[(e)-2-(3,4-dimethoxyphenyl)ethenyl]-1h-benzimidazole-4-carboxylate
CAS Number(s)
  • 107581-24-8
InChIKey NWLYGGNEKCELGY-CSKARUKUSA-N
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