Basic information
- Standard SMILES
O=C1C(=Cc2ccccn2)CCc2cc(OCCn3ccnc3)ccc21- InChIKey
YTWWBUIGTWSYAK-UHFFFAOYSA-N- Molecular formula
- C21H19N3O2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.14772686
Names & identifiers
- Preferred name
- 6-(2-Imidazole-1-yl-ethoxy)-2-pyridin-2-ylmethylene-3,4-dihydro-2H-naphthalen-1-one
- IUPAC
- 6-(2-imidazol-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
Names & synonyms
SCHEMBL6174168YTWWBUIGTWSYAK-UHFFFAOYSA-N6-(2-Imidazole-1-yl-ethoxy)-2-pyridin-2-ylmethylene-3,4-dihydro-2H-naphthalen-1 -one6-(2-Imidazole-1-yl-ethoxy)-2-pyridin-2-ylmethylene-3,4-dihydro-2H-naphthalen-1-one
Database identifiers
- PubChem CID
- 54527102
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Related reactions
4 records
Compound notes
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