Pyrazineethanol, alpha-(2,4-dibromo-1-methyl-1H-imidazol-5-yl)-beta,6-dimethyl-, (R*,R*)-
Basic information
- CAS
138335-85-0- Standard SMILES
Cc1cncc([C@@H](C)[C@@H](O)c2c(Br)nc(Br)n2C)n1- InChIKey
ZJMSJGRNVACRSR-GMSGAONNSA-N- Molecular formula
- C12H14Br2N4O
- Average molar mass
- 390.07 g/mol
- Monoisotopic mass
- 387.95344
Names & identifiers
- Preferred name
- Pyrazineethanol, alpha-(2,4-dibromo-1-methyl-1H-imidazol-5-yl)-beta,6-dimethyl-, (R*,R*)-
- IUPAC
- (1R,2R)-1-(2,5-dibromo-3-methylimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol
Names & synonyms
Pyrazineethanol, alpha-(2,4-dibromo-1-methyl-1H-imidazol-5-yl)-beta,6-dimethyl-, (R*,R*)-138335-85-0DTXSID00160592(1R,2R)-1-(2,4-Dibromo-1-methyl-1H-imidazol-5-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol
Database identifiers
- CAS
138335-85-0- PubChem CID
- 178454
- DTXSID
DTXSID00160592
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
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Compound notes
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