
 CHEMBL535640

 44 45  0  0  0  0  0  0  0  0999 V2000
    4.4833   -2.2717   -3.0348 C   0  0  0  0  0
    3.1831   -2.5190   -3.6508 N   0  0  0  0  0
    2.9338   -2.6517   -4.9643 C   0  0  0  0  0
    1.5812   -2.8747   -5.1178 C   0  0  0  0  0
    0.9896   -2.8833   -3.9064 N   0  0  0  0  0
    1.9932   -2.6613   -3.0269 C   0  0  0  0  0
    1.8066   -2.5861   -1.5324 C   0  0  0  0  0
    0.3577   -2.7592   -1.1209 C   0  0  0  0  0
   -0.0521   -3.8434   -0.3099 C   0  0  0  0  0
   -1.4152   -3.9611    0.0432 C   0  0  0  0  0
   -2.3462   -3.0215   -0.4021 C   0  0  0  0  0
   -1.9382   -1.9518   -1.1985 C   0  0  0  0  0
   -0.5948   -1.8183   -1.5539 C   0  0  0  0  0
   -3.1137   -0.7751   -1.7554 Cl  0  0  0  0  0
    0.8731   -4.7520    0.1077 O   0  0  0  0  0
    0.6135   -5.8438    0.9145 C   0  0  0  0  0
    1.8834   -6.6107    1.1547 C   0  0  0  0  0
    1.9904   -7.9553    0.7587 C   0  0  0  0  0
    3.1725   -8.6650    0.9913 C   0  0  0  0  0
    4.2532   -8.0398    1.6191 C   0  0  0  0  0
    4.1543   -6.7030    2.0156 C   0  0  0  0  0
    2.9737   -5.9888    1.7855 C   0  0  0  0  0
    0.8622   -3.0742   -6.3903 C   0  0  0  0  0
    1.4756   -3.0563   -7.4455 O   0  0  0  0  0
   -0.4737   -3.2752   -6.4033 O   0  0  0  0  0
    1.9556    2.3444    2.2800 Cl  0  0  0  0  0
    5.2764   -2.2042   -3.8101 H   0  0  0  0  0
    4.7334   -3.1010   -2.3410 H   0  0  0  0  0
    4.4548   -1.3157   -2.4706 H   0  0  0  0  0
    3.6784   -2.5897   -5.7481 H   0  0  0  0  0
    2.1611   -1.5982   -1.1687 H   0  0  0  0  0
    2.4514   -3.3652   -1.0768 H   0  0  0  0  0
   -1.7640   -4.7776    0.6595 H   0  0  0  0  0
   -3.3879   -3.1261   -0.1265 H   0  0  0  0  0
   -0.2886   -0.9829   -2.1722 H   0  0  0  0  0
   -0.1425   -6.4950    0.4225 H   0  0  0  0  0
    0.2118   -5.5032    1.8940 H   0  0  0  0  0
    1.1603   -8.4529    0.2726 H   0  0  0  0  0
    3.2501   -9.7003    0.6855 H   0  0  0  0  0
    5.1671   -8.5914    1.7987 H   0  0  0  0  0
    4.9920   -6.2207    2.5023 H   0  0  0  0  0
    2.9063   -4.9538    2.0982 H   0  0  0  0  0
   -0.9936   -3.2920   -5.5878 H   0  0  0  0  0
    0.5823    2.2877    2.3353 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 35  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL535640

>  <PubChem CID>
45263719

>  <Formula>
C19H18Cl2N2O3

>  <Molecular Weight>
393.264000

>  <IUPAC Name>
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C=C(N=C1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C(=O)O.Cl

>  <Isomeric SMILES>
CN1C=C(N=C1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C(=O)O.Cl

>  <InChI Std. ID>
InChI=1S/C19H17ClN2O3.ClH/c1-22-11-16(19(23)24)21-18(22)10-14-9-15(20)7-8-17(14)25-12-13-5-3-2-4-6-13;/h2-9,11H,10,12H2,1H3,(H,23,24);1H

>  <InChI Key>
AZHICMOGLPWZKX-UHFFFAOYSA-N

