Basic information
- Standard SMILES
COCCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1- InChIKey
FUMOEUYHHCZLLV-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2S
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-(4-Methoxybutoxy)pyridine-2-yl]methylthio-1H-benzimidazole
- IUPAC
- 2-[[4-(4-methoxybutoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
Names & synonyms
SCHEMBL8503548FUMOEUYHHCZLLV-UHFFFAOYSA-N2-[4-(4-Methoxybutoxy)pyridine-2-yl]methylthio-1H-benzimidazole
Database identifiers
- PubChem CID
- 15166327
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 361
Related reactions
3 records
Compound notes
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