Basic information
- Standard SMILES
CCCC(CCC)N1CCN(C(=O)c2ccc(CN(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1- InChIKey
JLOUWVMKYVLBQO-UHFFFAOYSA-N- Molecular formula
- C27H39N7O
- Average molar mass
- 477.6 g/mol
Names & identifiers
- Preferred name
- (4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-phenyl)-[4-(1-propylbutyl)-piperazin-1-yl]-methanone
- IUPAC
- [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-heptan-4-ylpiperazin-1-yl)methanone
Names & synonyms
SCHEMBL1206718JLOUWVMKYVLBQO-UHFFFAOYSA-N(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-phenyl)-[4-(1-propylbutyl)-piperazin-1-yl]-methanone
Database identifiers
- PubChem CID
- 10344979
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 595
Related reactions
3 records
Compound notes
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