Basic information
- CAS
380352-20-5- Standard SMILES
C=CCn1c(COc2ccc(OC)cc2)nc2ccccc21- InChIKey
RUKCXNSKNMUKPN-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- 2-[(4-methoxyphenoxy)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
- IUPAC
- 2-[(4-methoxyphenoxy)methyl]-1-prop-2-enylbenzimidazole
- English name
- 1-allyl-2-((4-methoxyphenoxy)methyl)-1H-benzo[d]imidazole
- Molecular formula
- C18H18N2O2
- Molecular weight
- 294.35
Names & synonyms
380352-20-52-[(4-methoxyphenoxy)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole1-Allyl-2-(4-methoxy-phenoxymethyl)-1H-benzoimidazole2-[(4-methoxyphenoxy)methyl]-1-prop-2-enylbenzimidazole1-allyl-2-((4-methoxyphenoxy)methyl)-1H-benzo[d]imidazole2-[(4-methoxyphenoxy)methyl]-1-(prop-2-en-1-yl)-1H-benzimidazoleOprea1_211773Oprea1_851578MLS001211491IFLab1_004328CHEMBL1306619DTXSID401325827
Show more names
1H-Benzimidazole, 2-[(4-methoxyphenoxy)methyl]-1-(2-propen-1-yl)-
HMS1424E16HMS2823F07STK866711AKOS000649635CCG-110560IDI1_010083SMR000518353ST50016095
Database identifiers
- CAS
380352-20-5- PubChem CID
- 718778
- DTXSID
DTXSID401325827- ChEMBL
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
- 355
Experimental & physicochemical properties
Solubility26.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 486.5 · 486.5±35.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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