Benzimidazole, 5(or 6)-chloro-2-(p-methoxybenzyl)-, hydrochloride
Basic information
- CAS
102516-91-6- Standard SMILES
COc1ccc(Cc2[nH]c3cc(Cl)ccc3[nH+]2)cc1.[Cl-]- InChIKey
XFLDWKGVVJCVIH-UHFFFAOYSA-N- Molecular formula
- C15H14Cl2N2O
- Average molar mass
- 309.2 g/mol
- Monoisotopic mass
- 308.0483185
Names & identifiers
- Preferred name
- Benzimidazole, 5(or 6)-chloro-2-(p-methoxybenzyl)-, hydrochloride
- IUPAC
- 6-chloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-3-ium chloride
Names & synonyms
5(or 6)Chloro-2-(p-methoxybenzyl)benzimidazole hydrochloride102516-91-6BENZIMIDAZOLE, 5(or 6)-CHLORO-2-(p-METHOXYBENZYL)-, HYDROCHLORIDERefChem:325917
Database identifiers
- CAS
102516-91-6- PubChem CID
- 59442
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
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