
 CHEMBL470169

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.4050   -5.5405   -0.1563 C   0  0  0  0  0
    1.6284   -4.7230   -0.4742 C   0  0  0  0  0
    2.3834   -4.1964    0.5906 C   0  0  0  0  0
    3.5165   -3.4497    0.2630 C   0  0  0  0  0
    3.9281   -3.2115   -1.0413 C   0  0  0  0  0
    3.1784   -3.7349   -2.1013 C   0  0  0  0  0
    2.0337   -4.4878   -1.8023 C   0  0  0  0  0
    1.1335   -5.1239   -3.1375 Cl  0  0  0  0  0
    5.0763   -2.4555   -1.0647 N   0  0  0  0  0
    5.3696   -2.2159    0.1995 C   0  0  0  0  0
    4.4464   -2.8042    1.0322 N   0  0  0  0  0
    6.5352   -1.4493    0.7304 C   0  0  0  0  0
    6.1635   -0.9996    2.0360 O   0  0  0  0  0
    7.1798   -0.7015    2.9039 C   0  0  0  0  0
    6.8863   -0.8210    4.2852 C   0  0  0  0  0
    7.8460   -0.5280    5.2573 C   0  0  0  0  0
    9.0825   -0.1133    4.8182 C   0  0  0  0  0
    9.3711    0.0189    3.4797 C   0  0  0  0  0
    8.4426   -0.2595    2.4965 C   0  0  0  0  0
   10.6442    0.4471    3.2661 O   0  0  0  0  0
   11.1279    0.5612    4.6215 C   0  0  0  0  0
   10.1377    0.2115    5.6110 O   0  0  0  0  0
    5.3306   -1.3659    4.8152 Cl  0  0  0  0  0
   -0.4806   -5.1100   -0.6347 H   0  0  0  0  0
    0.2099   -5.5665    0.9213 H   0  0  0  0  0
    0.5411   -6.5734   -0.4922 H   0  0  0  0  0
    2.0998   -4.3604    1.6257 H   0  0  0  0  0
    3.4895   -3.5530   -3.1231 H   0  0  0  0  0
    4.4577   -2.7381    2.0415 H   0  0  0  0  0
    6.7412   -0.5872    0.0880 H   0  0  0  0  0
    7.4048   -2.1161    0.7645 H   0  0  0  0  0
    7.6344   -0.6232    6.3159 H   0  0  0  0  0
    8.7093   -0.1163    1.4562 H   0  0  0  0  0
   11.4474    1.5953    4.7949 H   0  0  0  0  0
   11.9932   -0.1008    4.7424 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 23  1  0  0  0
 16 17  2  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 22  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL470169

>  <PubChem CID>
44589930

>  <Formula>
C16H12Cl2N2O3

>  <Molecular Weight>
351.183000

>  <IUPAC Name>
5-chloro-2-[(6-chloro-1,3-benzodioxol-5-yl)oxymethyl]-6-methyl-1H-benzimidazole

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC2=C(C=C1Cl)N=C(N2)COC3=C(C=C4C(=C3)OCO4)Cl

>  <Isomeric SMILES>
CC1=CC2=C(C=C1Cl)N=C(N2)COC3=C(C=C4C(=C3)OCO4)Cl

>  <InChI Std. ID>
InChI=1S/C16H12Cl2N2O3/c1-8-2-11-12(3-9(8)17)20-16(19-11)6-21-13-5-15-14(4-10(13)18)22-7-23-15/h2-5H,6-7H2,1H3,(H,19,20)

>  <InChI Key>
BKPOQXHTDNXEKD-UHFFFAOYSA-N

