Mrv0541 09051412172D          

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    0.2279    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2021    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <ID>
CHEBI:82873

> <NAME>
1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole

> <DEFINITION>
A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group.

> <STAR>
3

> <IUPAC_NAME>
1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole

> <FORMULA>
C18H15Cl3N2O

> <MASS>
381.68400

> <MONOISOTOPIC_MASS>
380.02500

> <CHARGE>
0

> <SMILES>
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1

> <INCHI>
InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2

> <INCHIKEY>
LEZWWPYKPKIXLL-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-1617

$$$$