Imatinib

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Properties Simple | Detailed

Formula C29H31N7O
IUPAC Name 4-[(4-methylpiperazin-1-yl)methyl]-n-[4-methyl-3-[[6-(2,3,4,6-tetrahydropyridine-2,6-diylium-3,4-diid-5-yl)-4,5-dihydropyrimidin-1-ium-4-ylium-5-id-2-yl]amino]phenyl]benzamide
Molecular Mass 493.603 g·mol−1
Heat of Formation 1795.4 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 596.52 Å 3
Surface Area 500.16 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-methyl-piperazin-1-ylmethyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
  • 4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]benzamide
  • 4-[(4-methylpiperazin-1-yl)methyl]-n-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
  • 4-[(4-methylpiperazin-1-yl)methyl]-n-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide
  • 4-[(4-methylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
  • alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide
  • benzamide, 4-((4-methyl)-1-piperazinyl)methyl)-n-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-
  • benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-
  • benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- (9ci)
  • cgp 57148
CAS Number(s)
  • 152459-95-5
InChIKey KTUFNOKKBVMGRW-UHFFFAOYSA-N
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