Basic information
- CAS
178979-33-4- Standard SMILES
CNC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C- InChIKey
UWGIQPQQGRFVNH-UHFFFAOYSA-N- Molecular formula
- C16H19Cl2N3O2S
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.0575034
Names & identifiers
- Preferred name
- 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-(N-methylcarbamoyl)oxymethyl-1H-imidazole
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl N-methylcarbamate
Names & synonyms
178979-33-45-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-(N-methylcarbamoyl)oxymethyl-1H-imidazole(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methyl methylcarbamateSCHEMBL6975015DTXSID10170647UWGIQPQQGRFVNH-UHFFFAOYSA-N[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-methyl-imidazol-2-yl]methyl N-methylcarbamate{5-[(3,5-Dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}methyl methylcarbamate
Database identifiers
- CAS
178979-33-4- PubChem CID
- 473952
- DTXSID
DTXSID10170647
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Related reactions
2 records
Compound notes
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