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Basic information
- CAS
178979-69-6- Standard SMILES
CC(C)c1nc(CN(C)C)n(C)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
ONOUYBSREXQUHY-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2N3S
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 357.08332403
Names & identifiers
- Preferred name
- 5-(3,5-Dichlorophenylthio)-2-dimethylaminomethyl-1-methyl-4-isopropyl-1H-imidazole
- IUPAC
- 1-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]-N,N-dimethylmethanamine
Names & synonyms
178979-69-65-(3,5-Dichlorophenylthio)-2-dimethylaminomethyl-1-methyl-4-isopropyl-1H-imidazoleSCHEMBL6972545DTXSID00939144ONOUYBSREXQUHY-UHFFFAOYSA-N5-(3,5-Dichlorophenylthio)-2-dimethylaminomethyl-4-isopropyl-1-methyl-1H-imidazole1-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-methyl-imidazol-2-yl]-N,N-dimethyl-methanamine1-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}-N,N-dimethylmethanamine
Database identifiers
- CAS
178979-69-6- PubChem CID
- 473987
- DTXSID
DTXSID00939144
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
1 records
Compound notes
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