2-[2-(methylamino)-1H-benzimidazol-1-yl]-1-phenylethanone hydrobromide
Basic information
- CAS
43181-79-9- Standard SMILES
Br.CNc1nc2ccccc2n1CC(=O)c1ccccc1- InChIKey
DGRXHNINIURTKK-UHFFFAOYSA-N- Molecular formula
- C16H16BrN3O
- Average molar mass
- 346.22 g/mol
- Monoisotopic mass
- 345.04767
Names & identifiers
- Preferred name
- 2-[2-(methylamino)-1H-benzimidazol-1-yl]-1-phenylethanone hydrobromide
- IUPAC
- 2-[2-(methylamino)benzimidazol-1-yl]-1-phenylethanone;hydrobromide
Names & synonyms
2-[2-(methylamino)-1H-benzimidazol-1-yl]-1-phenylethanone hydrobromideCambridge id 5562794MLS001164426CHEMBL145514743181-79-9SMR000496628SR-01000213436SR-01000213436-12-[2-(methylamino)benzimidazol-1-yl]-1-phenylethanone;hydrobromide
Database identifiers
- CAS
43181-79-9- PubChem CID
- 2852891
- ChEMBL
CHEMBL1455147
Properties
Computed structural properties
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
Solubility>51.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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