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

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Basic information

CAS: 178980-60-4
Standard SMILES: CC(C)c1nc(CCCO)n(C)c1Sc1cc(Cl)cc(Cl)c1
InChIKey: UIFBFFDAZINNNP-UHFFFAOYSA-N
Molecular formula: C16H20Cl2N2OS
Average molar mass: 359.3 g/mol
Monoisotopic mass: 358.0673398

Names & identifiers

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

Names & synonyms

178980-60-41H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-1-methyl-4-(1-methylethyl)-3-(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)propan-1-ol1H-Imidazole-2-propanol, 5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-SCHEMBL6976442DTXSID90170741UIFBFFDAZINNNP-UHFFFAOYSA-N3-(5-(3,5-dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)-propan-1-ol3-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-methyl-imidazol-2-yl]propan-1-ol3-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}propan-1-ol

Database identifiers

CAS: 178980-60-4
PubChem CID: 474083
DTXSID: DTXSID90170741

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 63.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 338

Related reactions

2 records

New reaction record

HRID 118057As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1857772As productuspto-grants-2000_11

Compound notes

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