Basic information
- CAS
667431-58-5- Standard SMILES
COCc1nc2ccccc2n1CCOc1ccc(Br)cc1- InChIKey
PDOKEZQGMPIOCO-UHFFFAOYSA-N- Molecular formula
- C17H17BrN2O2
- Average molar mass
- 361.2 g/mol
- Monoisotopic mass
- 360.04734
Names & identifiers
- Preferred name
- 1-[2-(4-Bromophenoxy)ethyl]-2-(methoxymethyl)benzimidazole
- IUPAC
- 1-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)benzimidazole
- English name
- 1-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)-1H-benzimidazole
- Molecular formula
- C17H17BrN2O2
- Molecular weight
- 361.23
Names & synonyms
1-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)-1H-benzimidazole1-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)benzimidazoleCBKinase1_009365CBKinase1_021765HMS5091J06STK213951AKOS001770000AE-848/42548251BRD-K33568512-001-01-1667431-58-51H-Benzimidazole, 1-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)-
Database identifiers
- CAS
667431-58-5- PubChem CID
- 1260044
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 337
Physicochemical properties
- Boiling point
- 505.3 · 505.3±40.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 4.68 · 4.68±0.10(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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