Basic information
- Standard SMILES
Cc1nc2cc(Br)ccc2n1C1CCOCC1.Cl- InChIKey
ZUSUSXFTHAVHBY-UHFFFAOYSA-N- Molecular formula
- C13H16BrClN2O
- Average molar mass
- 331.63 g/mol
- Monoisotopic mass
- 330.01345
Names & identifiers
- Preferred name
- 5-Bromo-2-methyl-1-(tetrahydropyran-4-yl)benzimidazole hydrochloride
- IUPAC
- 5-bromo-2-methyl-1-(oxan-4-yl)benzimidazole;hydrochloride
Names & synonyms
SCHEMBL2687047ZUSUSXFTHAVHBY-UHFFFAOYSA-N5-bromo-2-methyl-1-(tetrahydropyran-4-yl)benzimidazole hydrochloride
Database identifiers
- PubChem CID
- 67498043
Properties
Computed structural properties
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
1 records
Compound notes
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