Basic information
- CAS
34703-81-6- Standard SMILES
O=C(O)C(=O)O.O=C(O)C(=O)O.c1cnc2c(OCn3cnc4ccccc43)cccc2c1- InChIKey
YGXIDYHSQRAAOS-UHFFFAOYSA-N- Molecular formula
- C21H17N3O9
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 455.09647913
Names & identifiers
- Preferred name
- Benzimidazole, 1-((8-quinolyloxy)methyl)-, dioxalate
- IUPAC
- 8-(benzimidazol-1-ylmethoxy)quinoline;oxalic acid
Names & synonyms
34703-81-6Benzimidazole, 1-((8-quinolyloxy)methyl)-, dioxalate1-((8-Quinolyloxy)methyl)-benzimidazole dioxalateDTXSID30188264RefChem:325791DTXCID601107558-((1H-Benzo[d]imidazol-1-yl)methoxy)quinoline dioxalateOxalic acid--8-[(1H-1,3-benzimidazol-1-yl)methoxy]quinoline (2/1)
Database identifiers
- CAS
34703-81-6- PubChem CID
- 214974
- DTXSID
DTXSID30188264
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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