Benzimidazole, 6-chloro-1-(2-(diethylamino)ethyl)-2-(p-methoxybenzyl)-, hydrochloride
Basic information
- CAS
102516-90-5- Standard SMILES
CC[NH+](CC)CCn1c(Cc2ccc(OC)cc2)nc2ccc(Cl)cc21.[Cl-]- InChIKey
RZAVFGNMQHMDLC-UHFFFAOYSA-N- Molecular formula
- C21H27Cl2N3O
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 407.1531179
Names & identifiers
- Preferred name
- Benzimidazole, 6-chloro-1-(2-(diethylamino)ethyl)-2-(p-methoxybenzyl)-, hydrochloride
- IUPAC
- 2-[6-chloro-2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethyl-diethylazanium chloride
Names & synonyms
Benzimidazole, 6-chloro-1-(2-(diethylamino)ethyl)-2-(p-methoxybenzyl)-, hydrochloride6-Chloro-1-(2-diethylaminoethyl)-2-(p-methoxybenzyl)benzimidazole hydrochloride102516-90-5RefChem:325968
Database identifiers
- CAS
102516-90-5- PubChem CID
- 59440
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 412
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