
 CHEMBL124864

 26 27  0  0  0  0  0  0  0  0999 V2000
   -4.3334   -1.5420   -1.8438 C   0  0  0  0  0
   -3.9345   -2.8437   -2.1667 C   0  0  0  0  0
   -4.8233   -3.7047   -2.8070 C   0  0  0  0  0
   -6.1084   -3.2763   -3.1285 C   0  0  0  0  0
   -6.5011   -1.9742   -2.8084 C   0  0  0  0  0
   -5.6193   -1.1008   -2.1644 C   0  0  0  0  0
   -6.1261    0.1461   -1.9179 O   0  0  0  0  0
   -5.3026    1.0421   -1.1604 C   0  0  0  0  0
   -6.0299    2.3814   -1.0092 C   0  0  0  0  0
   -7.2125    2.2987   -0.1063 C   0  0  0  0  0
   -7.5027    2.8912    1.1032 C   0  0  0  0  0
   -8.7449    2.5155    1.5460 N   0  0  0  0  0
   -9.2121    1.7054    0.6250 C   0  0  0  0  0
   -8.3206    1.5398   -0.3949 N   0  0  0  0  0
   -4.2802   -5.4612   -3.2437 Br  0  0  0  0  0
   -3.6126   -0.9001   -1.3476 H   0  0  0  0  0
   -2.9299   -3.1728   -1.9163 H   0  0  0  0  0
   -6.8078   -3.9414   -3.6275 H   0  0  0  0  0
   -7.5026   -1.6408   -3.0643 H   0  0  0  0  0
   -4.3682    1.2245   -1.7042 H   0  0  0  0  0
   -5.0845    0.6137   -0.1743 H   0  0  0  0  0
   -6.3613    2.7379   -1.9917 H   0  0  0  0  0
   -5.3273    3.1231   -0.6094 H   0  0  0  0  0
   -6.8874    3.5710    1.6783 H   0  0  0  0  0
  -10.1752    1.2135    0.6414 H   0  0  0  0  0
   -8.4413    0.9493   -1.2073 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL124864

>  <PubChem CID>
10635514

>  <Formula>
C11H11BrN2O

>  <Molecular Weight>
267.126000

>  <IUPAC Name>
5-[2-(4-bromophenoxy)ethyl]-1H-imidazole

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=CC=C1OCCC2=CN=CN2)Br

>  <Isomeric SMILES>
C1=CC(=CC=C1OCCC2=CN=CN2)Br

>  <InChI Std. ID>
InChI=1S/C11H11BrN2O/c12-9-1-3-11(4-2-9)15-6-5-10-7-13-8-14-10/h1-4,7-8H,5-6H2,(H,13,14)

>  <InChI Key>
BBXMDKJQTUCCJM-UHFFFAOYSA-N

