
 CHEMBL52343

 58 62  0  0  0  0  0  0  0  0999 V2000
    9.2104    1.2943   -0.1007 C   0  0  0  0  0
    7.7275    1.3987   -0.4166 C   0  0  0  0  0
    7.1789    2.7907   -0.0990 C   0  0  0  0  0
    5.6937    2.8807   -0.4423 C   0  0  0  0  0
    5.1000    4.2105   -0.1001 C   0  0  0  0  0
    4.6433    4.5329    1.0912 N   0  0  0  0  0
    4.0429    5.7517    0.9473 C   0  0  0  0  0
    4.1066    6.1976   -0.3762 C   0  0  0  0  0
    4.9496    5.2734   -0.9779 N   0  0  0  0  0
    5.7034    5.4303   -2.2188 C   0  0  0  0  0
    7.0716    6.0708   -2.0609 C   0  0  0  0  0
    7.6063    6.4964   -0.8401 C   0  0  0  0  0
    8.8823    7.0709   -0.7752 C   0  0  0  0  0
    9.6852    7.2356   -1.9180 C   0  0  0  0  0
    9.1494    6.7960   -3.1366 C   0  0  0  0  0
    7.8624    6.2396   -3.2096 C   0  0  0  0  0
   11.0545    7.8011   -1.7954 C   0  0  0  0  0
   11.8971    7.2661   -0.7892 C   0  0  0  0  0
   13.1953    7.7332   -0.5706 C   0  0  0  0  0
   13.7038    8.7477   -1.3657 C   0  0  0  0  0
   12.9129    9.2832   -2.3792 C   0  0  0  0  0
   11.5930    8.8303   -2.6072 C   0  0  0  0  0
   10.8701    9.4812   -3.6926 C   0  0  0  0  0
    9.6014    9.9212   -3.6483 N   0  0  0  0  0
    9.4868   10.4425   -4.8780 N   0  0  0  0  0
   10.5778   10.3821   -5.6491 N   0  0  0  0  0
   11.4808    9.7734   -4.8957 N   0  0  0  0  0
    3.4298    7.3703   -0.7724 C   0  0  0  0  0
    2.7816    8.1212    0.2284 C   0  0  0  0  0
    2.7840    7.7047    1.5551 C   0  0  0  0  0
    3.3942    6.5121    1.9306 C   0  0  0  0  0
    1.9745    8.6524    2.7437 Cl  0  0  0  0  0
    3.2357    7.7520   -2.1845 C   0  0  0  0  0
    3.1402    6.9983   -3.1320 O   0  0  0  0  0
    3.1126    9.0829   -2.3331 O   0  0  0  0  0
    9.5805    0.2949   -0.3504 H   0  0  0  0  0
    9.3982    1.4704    0.9631 H   0  0  0  0  0
    9.7871    2.0239   -0.6781 H   0  0  0  0  0
    7.1825    0.6425    0.1604 H   0  0  0  0  0
    7.5707    1.1718   -1.4777 H   0  0  0  0  0
    7.7440    3.5382   -0.6655 H   0  0  0  0  0
    7.3324    3.0153    0.9641 H   0  0  0  0  0
    5.1485    2.1158    0.1263 H   0  0  0  0  0
    5.5272    2.6401   -1.4976 H   0  0  0  0  0
    5.1223    6.0267   -2.9145 H   0  0  0  0  0
    5.8146    4.4391   -2.6690 H   0  0  0  0  0
    7.0599    6.3854    0.0940 H   0  0  0  0  0
    9.2497    7.3899    0.1995 H   0  0  0  0  0
    9.7291    6.8816   -4.0535 H   0  0  0  0  0
    7.4854    5.9317   -4.1837 H   0  0  0  0  0
   11.5393    6.4538   -0.1568 H   0  0  0  0  0
   13.8035    7.3012    0.2204 H   0  0  0  0  0
   14.7109    9.1215   -1.2024 H   0  0  0  0  0
   13.3298   10.0789   -2.9964 H   0  0  0  0  0
    8.6243   10.8636   -5.2089 H   0  0  0  0  0
    2.2419    9.0280   -0.0399 H   0  0  0  0  0
    3.3678    6.1567    2.9549 H   0  0  0  0  0
    2.9378    9.2058   -3.2900 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 28  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 49  1  0  0  0
 16 50  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 19 20  2  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 21 22  2  0  0  0
 21 54  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 55  1  0  0  0
 26 27  2  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 56  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 31 57  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL52343

>  <PubChem CID>
15355267

>  <Formula>
C26H23ClN6O2

>  <Molecular Weight>
486.960000

>  <IUPAC Name>
2-butyl-6-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=CC(=C2)Cl)C(=O)O

>  <Isomeric SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=CC(=C2)Cl)C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H23ClN6O2/c1-2-3-8-23-28-22-14-18(27)13-21(26(34)35)24(22)33(23)15-16-9-11-17(12-10-16)19-6-4-5-7-20(19)25-29-31-32-30-25/h4-7,9-14H,2-3,8,15H2,1H3,(H,34,35)(H,29,30,31,32)

>  <InChI Key>
HAXHSQMTBDCHCE-UHFFFAOYSA-N

