1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-(2-(3,4-dimethoxyphenyl)ethyl)-2-(2-furanyl)-
Basic information
- CAS
72020-34-9- Standard SMILES
COc1ccc(CCn2c(-c3ccco3)nc3cc(C(=O)O)cc(S(N)(=O)=O)c32)cc1OC- InChIKey
UOXORNMXXVREQB-UHFFFAOYSA-N- Molecular formula
- C22H21N3O7S
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.11002119
Names & identifiers
- Preferred name
- 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-(2-(3,4-dimethoxyphenyl)ethyl)-2-(2-furanyl)-
- IUPAC
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-7-sulfamoylbenzimidazole-5-carboxylic acid
Names & synonyms
BRN 08710021H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-(2-(3,4-dimethoxyphenyl)ethyl)-2-(2-furanyl)-72020-34-9DTXSID10222332RefChem:237632DTXCID101448231-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(furan-2-yl)-7-sulfamoyl-1H-1,3-benzimidazole-5-carboxylic acid
Database identifiers
- CAS
72020-34-9- PubChem CID
- 51514
- DTXSID
DTXSID10222332
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 791
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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