2-(5,6-Dichloro-1-methyl-1H-benzoimidazol-2-yl)-1-ethylsulfanyl-propan-2-ol
Basic information
- Standard SMILES
CCSCC(C)(O)c1nc2cc(Cl)c(Cl)cc2n1C- InChIKey
IOLJDXIXPZOELY-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N2OS
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0360397
Names & identifiers
- Preferred name
- 2-(5,6-Dichloro-1-methyl-1H-benzoimidazol-2-yl)-1-ethylsulfanyl-propan-2-ol
- IUPAC
- 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)-1-ethylsulfanylpropan-2-ol
Names & synonyms
CHEMBL413000SCHEMBL1260163IOLJDXIXPZOELY-UHFFFAOYSA-N2-(5,6-Dichloro-1-methyl-1H-benzoimidazol-2-yl)-1-ethylsulfanyl-propan-2-ol
Database identifiers
- PubChem CID
- 11623878
- ChEMBL
CHEMBL413000
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
6 records
Compound notes
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