Imatinib
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
| Molecular Formula | C29H31N7O |
|---|---|
| Molecular Weight | 493.6 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.3 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.259 |
| Heavy Atoms | 37 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 152459-95-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 |
| InChIKey | KTUFNOKKBVMGRW-UHFFFAOYSA-N |
📖 Product Overview
Imatinib (CAS: 152459-95-5) is a chemical compound with molecular formula C29H31N7O and molecular weight 493.6 g/mol. Its IUPAC systematic name is 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.
KTUFNOKKBVMGRW-UHFFFAOYSA-N.
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.
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