
 CHEMBL19172

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.8177    3.6895    0.7734 C   0  0  0  0  0
   -1.5739    4.0476    2.1017 C   0  0  0  0  0
   -2.5822    4.6494    2.8513 C   0  0  0  0  0
   -3.8286    4.9025    2.2838 C   0  0  0  0  0
   -4.0684    4.5485    0.9543 C   0  0  0  0  0
   -3.0721    3.9233    0.1895 C   0  0  0  0  0
   -3.3074    3.5602   -1.2586 C   0  0  0  0  0
   -4.6572    3.1753   -1.5318 O   0  0  0  0  0
   -4.9476    1.8438   -1.1017 C   0  0  0  0  0
   -6.3963    1.5097   -1.4517 C   0  0  0  0  0
   -6.6910    1.5456   -2.9537 C   0  0  0  0  0
   -5.9398    0.5088   -3.7127 C   0  0  0  0  0
   -5.9510   -0.8689   -3.6664 C   0  0  0  0  0
   -5.0555   -1.3963   -4.5596 N   0  0  0  0  0
   -4.5125   -0.3620   -5.1583 C   0  0  0  0  0
   -5.0170    0.8142   -4.6824 N   0  0  0  0  0
   -2.2534    5.1316    4.6497 Br  0  0  0  0  0
   -1.0193    3.2258    0.1973 H   0  0  0  0  0
   -0.5974    3.8562    2.5387 H   0  0  0  0  0
   -4.6170    5.3753    2.8633 H   0  0  0  0  0
   -5.0425    4.7556    0.5153 H   0  0  0  0  0
   -2.6256    2.7672   -1.5891 H   0  0  0  0  0
   -3.0959    4.4470   -1.8664 H   0  0  0  0  0
   -4.8208    1.7692   -0.0162 H   0  0  0  0  0
   -4.2571    1.1389   -1.5774 H   0  0  0  0  0
   -7.0528    2.2424   -0.9657 H   0  0  0  0  0
   -6.6478    0.5250   -1.0405 H   0  0  0  0  0
   -6.4784    2.5438   -3.3553 H   0  0  0  0  0
   -7.7642    1.3757   -3.1060 H   0  0  0  0  0
   -6.5494   -1.5083   -3.0300 H   0  0  0  0  0
   -3.7593   -0.4015   -5.9336 H   0  0  0  0  0
   -4.7532    1.7407   -4.9890 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL19172

>  <PubChem CID>
6421294

>  <Formula>
C13H15BrN2O

>  <Molecular Weight>
295.180000

>  <IUPAC Name>
5-[3-[(4-bromophenyl)methoxy]propyl]-1H-imidazole

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=CC=C1COCCCC2=CN=CN2)Br

>  <Isomeric SMILES>
C1=CC(=CC=C1COCCCC2=CN=CN2)Br

>  <InChI Std. ID>
InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)

>  <InChI Key>
BVLPCBPJCFRUBA-UHFFFAOYSA-N

