1H-Imidazole, 4-((((4-chlorophenyl)methyl)thio)methyl)-5-methyl-, monohydrochloride
Basic information
- CAS
131028-59-6- Standard SMILES
Cc1[nH]cnc1CSCc1ccc(Cl)cc1.Cl- InChIKey
WKKHCWQWTZCZAE-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2N2S
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 288.025475
Names & identifiers
- Preferred name
- 1H-Imidazole, 4-((((4-chlorophenyl)methyl)thio)methyl)-5-methyl-, monohydrochloride
- IUPAC
- 4-[(4-chlorophenyl)methylsulfanylmethyl]-5-methyl-1H-imidazole;hydrochloride
Names & synonyms
1H-Imidazole, 4-((((4-chlorophenyl)methyl)thio)methyl)-5-methyl-, monohydrochloride131028-59-64-((((4-Chlorophenyl)methyl)thio)methyl)-5-methyl-1H-imidazole monohydrochlorideDTXSID30156847RefChem:238100DTXCID6079338MLS000698419CHEMBL1376365SMR0002249404-({[(4-Chlorophenyl)methyl]sulfanyl}methyl)-5-methyl-1H-imidazole--hydrogen chloride (1/1)
Database identifiers
- CAS
131028-59-6- PubChem CID
- 3076435
- DTXSID
DTXSID30156847- ChEMBL
CHEMBL1376365
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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