Basic information
- Standard SMILES
Cc1c(OCC2OCC3(CC3)CO2)ccnc1CSc1nc2ccccc2[nH]1- InChIKey
IZRIXHNSUFRPSX-UHFFFAOYSA-N- Molecular formula
- C21H23N3O3S
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- 2-(((4-(5,7-dioxaspiro[2.5]oct-6-ylmethoxy)-3-methylpyridin-2-yl)methyl)thio)-1H-benzimidazole
- IUPAC
- 2-[[4-(5,7-dioxaspiro[2.5]octan-6-ylmethoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
Names & synonyms
SCHEMBL714232IZRIXHNSUFRPSX-UHFFFAOYSA-N2-(((4-(5,7-dioxaspiro[2.5]oct-6-ylmethoxy)-3-methylpyridin-2-yl)methyl)thio)-1H-benzimidazole
Database identifiers
- PubChem CID
- 59792467
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 525
Related reactions
5 records
Compound notes
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