Basic information
- CAS
565166-62-3- Standard SMILES
COc1cc(C(=O)Cc2nc3ccccc3[nH]2)cc(OC)c1OC- InChIKey
OMULFSWKUNFLCY-UHFFFAOYSA-N- Molecular formula
- C18H18N2O4
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.12665706
Names & identifiers
- Preferred name
- 2-(1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
- IUPAC
- 2-(1H-benzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
Names & synonyms
2-(1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one565166-62-32-(1H-benzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanoneAKOS000115192CS-0218580EN300-01423G353162-(3,4,5-trimethoxyphenacyl)-1 h -benzimidazole
Database identifiers
- CAS
565166-62-3- PubChem CID
- 2392276
- EC Number
- 190-415-4
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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