Basic information
- Standard SMILES
Cn1cnc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1- InChIKey
UJXLXQFGNRFHSK-UHFFFAOYSA-N- Molecular formula
- C25H28N6O2
- Average molar mass
- 444.5 g/mol
Names & identifiers
- Preferred name
- N-((1-Methyl-1H-imidazol-4-yl)methyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
- IUPAC
- N-[(1-methylimidazol-4-yl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL932193CHEMBL3647263UJXLXQFGNRFHSK-UHFFFAOYSA-NBDBM136319US8859534, 5N-((1-Methyl-1H-imidazol-4-yl)methyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636775
- ChEMBL
CHEMBL3647263
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 642
Related reactions
3 records
Compound notes
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