(5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)acetic acid

HCID 473989
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Basic information

CAS
178979-71-0
Standard SMILES
CC(C)c1nc(CC(=O)O)n(C)c1Sc1cc(Cl)cc(Cl)c1
InChIKey
AGUQHZLWOXCEMA-UHFFFAOYSA-N
Molecular formula
C15H16Cl2N2O2S
Average molar mass
359.3 g/mol
Monoisotopic mass
358.0309543

Names & identifiers

Preferred name
(5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)acetic acid
IUPAC
2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetic acid

Names & synonyms

178979-71-0(5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)acetic acid[5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl]acetic acidSCHEMBL6960253DTXSID20170678AGUQHZLWOXCEMA-UHFFFAOYSA-N{5-[(3,5-Dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}acetic acid2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-methyl-imidazol-2-yl]acetic acid

Database identifiers

CAS
178979-71-0
PubChem CID
473989
DTXSID
DTXSID20170678

Properties

Computed structural propertiesFilling in

XLogP
4.3
Topological polar surface area
80.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

Related reactions

1 records
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Compound notes

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