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Basic information
- Standard SMILES
CS(=O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21- InChIKey
RKLGYXKJAPAMOF-UHFFFAOYSA-N- Molecular formula
- C17H17N5OS
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.11538136
Names & identifiers
- Preferred name
- 1-[[1-(2-Methylsulfinylethyl)benzimidazol-2-yl]methyl]benzotriazole
- IUPAC
- 1-[[1-(2-methylsulfinylethyl)benzimidazol-2-yl]methyl]benzotriazole
Names & synonyms
CHEMBL68123SCHEMBL5858807RKLGYXKJAPAMOF-UHFFFAOYSA-N1-[[1-(2-methylsulfinylethyl)benzimidazol-2-yl]methyl]benzotriazole1-[1-(2-Methylsulfinyl-ethyl)-1H-benzimidazol-2-ylmethyl]-1H-benzotriazole1H-1,2,3-Benzotriazole, 1-[[1-[2-(methylsulfinyl)ethyl]-1H-benzimidazol-2-yl]methyl]-
Database identifiers
- PubChem CID
- 5272016
- ChEMBL
CHEMBL68123
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
Related reactions
3 records
Compound notes
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