N-{3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4-methyl-3-[(1-methyl-1H-imidazol-5-yl)ethynyl]benzamide
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Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1C#Cc1cncn1C- InChIKey
BLSFINWSJZRWCW-UHFFFAOYSA-N- Molecular formula
- C26H28ClN5O
- Average molar mass
- 462 g/mol
Names & identifiers
- Preferred name
- N-{3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4-methyl-3-[(1-methyl-1H-imidazol-5-yl)ethynyl]benzamide
- IUPAC
- N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[2-(3-methylimidazol-4-yl)ethynyl]benzamide
Names & synonyms
SCHEMBL4103080BLSFINWSJZRWCW-UHFFFAOYSA-NN-{3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4-methyl-3-[(1-methyl-1H-imidazol-5-yl)ethynyl]benzamide
Database identifiers
- PubChem CID
- 57737392
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 727
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Related reactions
2 records
Compound notes
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