2-[(2-{[1-(2-Aminoethyl)-4-Piperidinyl]Amino}-4-Methyl-1H-Benzimidazol-1-Yl)Methyl]-6-Methyl-3-Pyridinol

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Properties Simple | Detailed

Formula C22H30N6O
IUPAC Name 2-[[2-[[1-(2-aminoethyl)-4-piperidyl]amino]-4-methyl-benzimidazol-1-ium-2-ylium-1-yl]methyl]-6-methyl-pyridin-3-ol
Molecular Mass 394.513 g·mol−1
Heat of Formation 88.8 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 494.2 Å 3
Surface Area 385.1 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2-[[1-(2-aminoethyl)-4-piperidinyl]amino]-4-methyl-1-benzimidazolyl]methyl]-6-methyl-3-pyridinol
  • 2-[[2-[[1-(2-aminoethyl)-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
  • 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
  • 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
  • 3-pyridinol, 2-[[2-[[1-(2-aminoethyl)-4-piperidinyl]amino]-4-methyl-1h-benzimidazol-1-yl]methyl]-6-methyl-
  • jnj-2408068
  • r-170591
InChIKey RDQSNNMSDOHAPG-UHFFFAOYSA-N
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