Basic information
- CAS
65248-80-8- Standard SMILES
c1ccc2c(OCC3=NCCN3)cccc2c1- InChIKey
REQHONMNWKPBNA-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- 2-{[(Naphthalen-1-yl)oxy]methyl}-4,5-dihydro-1H-imidazole
- IUPAC
- 2-(naphthalen-1-yloxymethyl)-4,5-dihydro-1H-imidazole
Names & synonyms
CHEMBL27920065248-80-8NSC24084DTXSID602756312-{[(Naphthalen-1-yl)oxy]methyl}-4,5-dihydro-1H-imidazoleBDBM50473171NSC-24084
Database identifiers
- CAS
65248-80-8- PubChem CID
- 58544
- DTXSID
DTXSID60275631- ChEMBL
CHEMBL279200- Nikkaji
- J1.293.334G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
LogP1.13
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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