1H-Imidazole, 4-methyl-5-(((5-phenylpentyl)thio)methyl)-, monohydrochloride
Basic information
- CAS
131028-63-2- Standard SMILES
Cc1[nH]cnc1CSCCCCCc1ccccc1.Cl- InChIKey
RRGPXCRJWVVWRE-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2S
- Average molar mass
- 310.9 g/mol
- Monoisotopic mass
- 310.1270476
Names & identifiers
- Preferred name
- 1H-Imidazole, 4-methyl-5-(((5-phenylpentyl)thio)methyl)-, monohydrochloride
- IUPAC
- 5-methyl-4-(5-phenylpentylsulfanylmethyl)-1H-imidazole;hydrochloride
Names & synonyms
1H-Imidazole, 4-methyl-5-(((5-phenylpentyl)thio)methyl)-, monohydrochloride4-Methyl-5-(((5-phenylpentyl)thio)methyl)-1H-imidazole monohydrochloride131028-63-2DTXSID20156851RefChem:238138DTXCID00793425-Methyl-4-{[(5-phenylpentyl)sulfanyl]methyl}-1H-imidazole--hydrogen chloride (1/1)
Database identifiers
- CAS
131028-63-2- PubChem CID
- 3076441
- DTXSID
DTXSID20156851
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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