5-Carbomethoxy-6-methyl-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
Basic information
- Standard SMILES
COC(=O)c1cc2nc(S(=O)Cc3nccc(OC)c3OC)[nH]c2cc1C- InChIKey
RFJGNWGMCBFYTP-UHFFFAOYSA-N- Molecular formula
- C18H19N3O5S
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- 5-Carbomethoxy-6-methyl-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
- IUPAC
- methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate
Names & synonyms
CHEMBL446330SCHEMBL3381761RFJGNWGMCBFYTP-UHFFFAOYSA-N5-Carbomethoxy-6-methyl-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
Database identifiers
- PubChem CID
- 9865142
- ChEMBL
CHEMBL446330
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 551
Related reactions
1 records
Compound notes
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