1H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-1-ethyl-4-(1-methylethyl)-

Substructure search Find similar structures

Basic information

CAS: 178980-59-1
Standard SMILES: CCn1c(CCCO)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1
InChIKey: FXIIPKMRGWZCEK-UHFFFAOYSA-N
Molecular formula: C17H22Cl2N2OS
Average molar mass: 373.3 g/mol
Monoisotopic mass: 372.0829899

Names & identifiers

Preferred name: 1H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-1-ethyl-4-(1-methylethyl)-
IUPAC: 3-[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]propan-1-ol

Names & synonyms

178980-59-11H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-1-ethyl-4-(1-methylethyl)-3-(5-((3,5-Dichlorophenyl)thio)-1-ethyl-4-isopropyl-1H-imidazol-2-yl)propan-1-ol1H-Imidazole-2-propanol, 5-[(3,5-dichlorophenyl)thio]-1-ethyl-4-(1-methylethyl)-SCHEMBL6968701DTXSID30170740FXIIPKMRGWZCEK-UHFFFAOYSA-N3-(5-(3,5-dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazol-2-yl)-propan-1-ol3-[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-isopropyl-imidazol-2-yl]propan-1-ol3-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-ethyl-4-(propan-2-yl)-1H-imidazol-2-yl}propan-1-ol

Database identifiers

CAS: 178980-59-1
PubChem CID: 474085
DTXSID: DTXSID30170740

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 63.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 351

Related reactions

3 records

New reaction record

HRID 289625As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1857774As productuspto-grants-2000_11

HRID 1857775As reactantuspto-grants-2000_11

Compound notes

Loading…