
 CHEMBL125751

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.5791    0.4122    3.0802 C   0  0  0  0  0
   -0.3891   -0.4987    2.0418 C   0  0  0  0  0
    0.7295   -0.3919    1.2113 C   0  0  0  0  0
    1.6730    0.6196    1.4334 C   0  0  0  0  0
    1.4648    1.5444    2.4639 C   0  0  0  0  0
    0.3429    1.4374    3.2880 C   0  0  0  0  0
    2.8729    0.7829    0.5709 C   0  0  0  0  0
    3.3353    1.9075    0.3889 O   0  0  0  0  0
    3.5258   -0.3734   -0.0945 C   0  0  0  0  0
    4.0768   -0.1835   -1.3678 C   0  0  0  0  0
    4.6839   -1.2484   -2.0398 C   0  0  0  0  0
    4.7582   -2.5019   -1.4325 C   0  0  0  0  0
    4.2240   -2.6891   -0.1566 C   0  0  0  0  0
    3.6246   -1.6249    0.5229 C   0  0  0  0  0
    5.2720   -3.6160   -2.0373 O   0  0  0  0  0
    6.4966   -3.3883   -2.7501 C   0  0  0  0  0
    7.0808   -4.7395   -3.1720 C   0  0  0  0  0
    7.5159   -5.5606   -2.0077 C   0  0  0  0  0
    8.7289   -5.7062   -1.3718 C   0  0  0  0  0
    8.6327   -6.5938   -0.3320 N   0  0  0  0  0
    7.3788   -6.9856   -0.3238 C   0  0  0  0  0
    6.6615   -6.3838   -1.3166 N   0  0  0  0  0
   -1.4539    0.3315    3.7214 H   0  0  0  0  0
   -1.1194   -1.2868    1.8719 H   0  0  0  0  0
    0.8370   -1.0929    0.3880 H   0  0  0  0  0
    2.1752    2.3530    2.6249 H   0  0  0  0  0
    0.1866    2.1580    4.0871 H   0  0  0  0  0
    4.0206    0.7934   -1.8446 H   0  0  0  0  0
    5.0658   -1.0784   -3.0407 H   0  0  0  0  0
    4.2889   -3.6649    0.3187 H   0  0  0  0  0
    3.2482   -1.7867    1.5298 H   0  0  0  0  0
    7.2105   -2.8409   -2.1216 H   0  0  0  0  0
    6.2914   -2.8127   -3.6594 H   0  0  0  0  0
    7.9387   -4.5703   -3.8333 H   0  0  0  0  0
    6.3328   -5.3003   -3.7462 H   0  0  0  0  0
    9.6678   -5.2205   -1.6063 H   0  0  0  0  0
    6.9390   -7.6907    0.3681 H   0  0  0  0  0
    5.6751   -6.5115   -1.4999 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
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 15 16  1  0  0  0
 16 17  1  0  0  0
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 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
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 22 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL125751

>  <PubChem CID>
10756060

>  <Formula>
C18H16N2O2

>  <Molecular Weight>
292.338000

>  <IUPAC Name>
[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCC3=CN=CN3

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCC3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C18H16N2O2/c21-18(14-4-2-1-3-5-14)15-6-8-17(9-7-15)22-11-10-16-12-19-13-20-16/h1-9,12-13H,10-11H2,(H,19,20)

>  <InChI Key>
AERFRISBAZTIHN-UHFFFAOYSA-N

