Ketcher 07101514392D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
   17.2553  -11.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1299  -11.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0210  -11.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0375  -10.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1629   -9.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2718  -10.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1134  -12.9839    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1794   -8.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0329   -8.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3259   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9286   -9.9543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.8624   -8.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7159   -8.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5453   -8.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3259   -7.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1270   -6.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8210   -5.9038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8307   -5.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5247   -6.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  2  7  1  0     0  0
  5  8  1  0     0  0
  8  9  1  0     0  0
  8 10  1  0     0  0
  4 11  1  0     0  0
  9 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 10 15  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 15 19  1  0     0  0
M  END
> <ID>
CHEBI:83829

> <NAME>
1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole

> <DEFINITION>
A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group.

> <STAR>
3

> <IUPAC_NAME>
1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

> <FORMULA>
C14H14Cl2N2O

> <MASS>
297.18000

> <MONOISOTOPIC_MASS>
296.04832

> <CHARGE>
0

> <SMILES>
Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1

> <INCHI>
InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2

> <INCHIKEY>
PZBPKYOVPCNPJY-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-4333

$$$$