2-(2-Ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1h-imidazole
Basic information
- CAS
96576-24-8- Standard SMILES
CCOC1(C2=NCCN2)COc2ccccc2O1- InChIKey
PXTLRBYNGGDZBN-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- 2-(2-Ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1h-imidazole
- IUPAC
- 2-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
- English name
- ethoxyidazoxan
- Molecular formula
- C13H16N2O3
- Molecular weight
- 248.28
Names & synonyms
2-(2-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1h-imidazoleRX 811033RX 8110592-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole2-(2-Ethoxy-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazoleETHOXY-IDAZOXANRX-811059Aorb1741269CHEMBL1196898SCHEMBL10804432BDBM81803DTXSID70914443
Show more names
RX-811059ethoxyidazoxan2-[(2-Ethoxy-2,3-dihydro-1,4-benzodioxin)-2-yl]-4,5-dihydro-1H-imidazole
PDSP1_001655PDSP2_001639CAS_125992NSC_125992T68212L0096801H-Imidazole, 2-(2-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-2-(2-ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1h -imidazole
Database identifiers
- CAS
96576-24-8- PubChem CID
- 125992
- DTXSID
DTXSID70914443- ChEMBL
CHEMBL1196898- Nikkaji
- J431.756D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 417.3 · 417.3±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 9.51 · 9.51±0.40(Predicted)
Chemistry & industry
Applications
DescriptionEthoxyidazoxan is a potent and highly selective alpha 2-adrenergic receptor antagonist.
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Compound notes
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