Chemical Compound

Imatinib

CAS Registry Number152459-95-5
Imatinib chemical structure
Primary record

Imatinib

CAS
152459-95-5
PubChem CID
3428
SMILES
C(CC(CNCCCNCCCN)N)CN=C(N)N
Molecular Formula
C12H31N7
Molecular Weight
273.429
Exact Mass
273.2641
InChI
InChI=1S/C12H31N7/c13-5-2-6-17-7-3-8-18-10-11(14)4-1-9-19-12(15)16/h11,17-18H,1-10,13-14H2,(H4,15,16,19)
InChIKey
NEFHYROACNTRNJ-UHFFFAOYSA-N
LogP
-1.7146
TPSA
140.5

Names and synonyms

  • Imatinib
  • AC1L1FWW
  • CTK7E8465
  • CID3428
  • 2-[4-amino-5-[3-(3-aminopropylamino)propylamino]pentyl]guanidine
  • 2-[4-amino-5-({3-[(3-aminopropyl)amino]propyl}amino)pentyl]guanidine
  • 152459-95-5
  • N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide