2-[(2-methoxyphenoxy)methyl]-1-propyl-1H-1,3-benzodiazole
Basic information
- CAS
612049-72-6- Standard SMILES
CCCn1c(COc2ccccc2OC)nc2ccccc21- InChIKey
SZBHUEXHIXASTF-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Names & identifiers
- Preferred name
- 2-[(2-methoxyphenoxy)methyl]-1-propyl-1H-1,3-benzodiazole
- IUPAC
- 2-[(2-methoxyphenoxy)methyl]-1-propylbenzimidazole
Names & synonyms
612049-72-62-[(2-methoxyphenoxy)methyl]-1-propylbenzimidazole2-[(2-methoxyphenoxy)methyl]-1-propyl-1H-1,3-benzodiazole2-((2-methoxyphenoxy)methyl)-1-propyl-1H-benzo[d]imidazole2-(2-Methoxy-phenoxymethyl)-1-propyl-1H-benzoimidazole2-[(2-methoxyphenoxy)methyl]-1-propyl-1H-benzimidazoleOprea1_600656MLS001206526CHEMBL1604678SCHEMBL14825090DTXSID701326367HMS2815N08
Show more names
STK866915AKOS000570980EBC-656225SMR000519123EU-0014130ST50020407Z570461972-methoxy-1-[(1-propylbenzimidazol-2-yl)methoxy]benzene
Database identifiers
- CAS
612049-72-6- PubChem CID
- 706268
- DTXSID
DTXSID701326367- ChEMBL
CHEMBL1604678
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
Solubility39.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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