2-[(1H-benzimidazol-2-ylmethylamino)methyl]phenol;hydrochloride
Basic information
- CAS
1049732-07-1- Standard SMILES
Cl.Oc1ccccc1CNCc1nc2ccccc2[nH]1- InChIKey
SUUPTKJYHGWJKM-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3O
- Average molar mass
- 289.76 g/mol
- Monoisotopic mass
- 289.0981898
Names & identifiers
- Preferred name
- 2-[(1H-benzimidazol-2-ylmethylamino)methyl]phenol;hydrochloride
- IUPAC
- 2-[(1H-benzimidazol-2-ylmethylamino)methyl]phenol;hydrochloride
Names & synonyms
NSC681112CHEMBL1972589NSC-681112
Database identifiers
- CAS
1049732-07-1- PubChem CID
- 387359
- ChEMBL
CHEMBL1972589
Properties
Computed structural properties
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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