N-{5-[(5-{[3-(Dimethylamino)Propyl]Carbamoyl}-1-Methyl-1H-Pyrrol-3-Yl)Carbamoyl]-1-Methyl-1H-Pyrrol-3-Yl}-1-Methyl-1H-Imidazole-2-Carboxamide

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Properties Simple | Detailed

Formula C22H30N8O3
IUPAC Name n-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-1-ium-5-ylium-3-yl]carbamoyl]-1-methyl-pyrrol-1-ium-5-ylium-3-yl]-1-methyl-imidazol-1-ium-2-ylium-2-carboxamide
Molecular Mass 454.525 g·mol−1
Heat of Formation -163.0 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 552.14 Å 3
Surface Area 493.89 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methylimidazole-2-carboxamide netropsin
  • 1h-imidazole-2-carboxamide, n-(5-(((5-(((3-(dimethylamino)propyl)amino)carbonyl)-1-methyl-1h-pyrrol-3-yl)amino)carbonyl)-1-methyl-1h-pyrrol-3-yl)-1-methyl-
  • 2-imn
  • impypy-dp
  • n-[5-[[5-(3-dimethylaminopropylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
  • n-[5-[[5-(3-dimethylaminopropylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
  • n-[5-[[[5-[(3-dimethylaminopropylamino)-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-imidazolecarboxamide
CAS Number(s)
  • 129601-50-9
InChIKey DMOMFSUPEGKPKO-UHFFFAOYSA-N
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