Basic information
- CAS
5242-64-8- Standard SMILES
Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)n1ccnc1)OCO2- InChIKey
SADZUGZPRKRGTC-UHFFFAOYSA-N- Molecular formula
- C18H14N2O5
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.09027155
Names & identifiers
- Preferred name
- 6-(benzo[d][1,3]dioxol-5-yl(1H-imidazol-1-yl)methyl)benzo[d][1,3]dioxol-5-ol
- IUPAC
- 6-[1,3-benzodioxol-5-yl(imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol
Names & synonyms
NSC-368272CHEMBL4595035242-64-8NSC368272DTXSID103210366-(benzo[d][1,3]dioxol-5-olBDBM502540166-(benzo[d][1,3]dioxol-5-yl(1H-imidazol-1-yl)methyl)benzo[d][1,3]dioxol-5-ol6-[(2H-1,3-Benzodioxol-5-yl)(1H-imidazol-1-yl)methyl]-2H-1,3-benzodioxol-5-ol
Database identifiers
- CAS
5242-64-8- PubChem CID
- 339906
- DTXSID
DTXSID10321036- ChEMBL
CHEMBL459503
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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