5-(3,5-Dichlorophenylthio)-4-isopropyl-1,2-dimethyl-1H-imidazole

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Basic information

CAS: 178978-90-0
Standard SMILES: Cc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C
InChIKey: RFRFFCISKHQSNU-UHFFFAOYSA-N
Molecular formula: C14H16Cl2N2S
Average molar mass: 315.3 g/mol
Monoisotopic mass: 314.0411251

Names & identifiers

Preferred name: 5-(3,5-Dichlorophenylthio)-4-isopropyl-1,2-dimethyl-1H-imidazole
IUPAC: 5-(3,5-dichlorophenyl)sulfanyl-1,2-dimethyl-4-propan-2-ylimidazole

Names & synonyms

178978-90-05-(3,5-Dichlorophenylthio)-4-isopropyl-1,2-dimethyl-1H-imidazoleSCHEMBL6966628DTXSID10170622RFRFFCISKHQSNU-UHFFFAOYSA-N5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1,2-dimethyl-imidazole5-(3,5-dichlorophenylthio)-1,2-dimethyl-4-isopropyl-1H-imidazole5-[(3,5-Dichlorophenyl)sulfanyl]-1,2-dimethyl-4-(propan-2-yl)-1H-imidazole

Database identifiers

CAS: 178978-90-0
PubChem CID: 473909
DTXSID: DTXSID10170622

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 293

Related reactions

2 records

New reaction record

HRID 1208071As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1857686As productuspto-grants-2000_11

Compound notes

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