Basic information
- CAS
102516-95-0- Standard SMILES
CC[NH+](CC)CC[n+]1c(Cc2ccc(OC)c(OC)c2)[nH]c2ccccc21.[Cl-].[Cl-]- InChIKey
YCDWXLPJYMLXFF-UHFFFAOYSA-N- Molecular formula
- C22H31Cl2N3O2
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 439.1793326
Names & identifiers
- Preferred name
- Benzimidazole, 1-(2-(diethylamino)ethyl)-2-(3,4-dimethoxybenzyl)-, dihydrochloride
- IUPAC
- 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride
Names & synonyms
102516-95-0Benzimidazole, 1-(2-(diethylamino)ethyl)-2-(3,4-dimethoxybenzyl)-, dihydrochloride1-(2-Diethylaminoethyl)-2-(3,4-dimethoxybenzyl)-benzimidazole dihydrochlorideRefChem:3258041-(2-Diethylaminoethyl)-2-(3,4-dimethoxybenzyl)-benzimidazole dihydroc hloride2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium;dichloride
Database identifiers
- CAS
102516-95-0- PubChem CID
- 59449
Properties
Computed structural properties
- Topological polar surface area
- 42.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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