
 CHEMBL69124

 58 62  0  0  0  0  0  0  0  0999 V2000
    1.0536    2.2341    1.3580 C   0  0  0  0  0
    2.5575    2.3577    1.1626 C   0  0  0  0  0
    3.1173    1.4440    0.0461 C   0  0  0  0  0
    2.5414    1.8332   -1.3216 C   0  0  0  0  0
    4.6211    1.5714    0.0257 C   0  0  0  0  0
    5.2159    2.6440   -0.4502 N   0  0  0  0  0
    6.5432    2.4739   -0.2288 C   0  0  0  0  0
    7.5741    3.3673   -0.5661 C   0  0  0  0  0
    8.8864    3.0606   -0.2289 C   0  0  0  0  0
    9.1604    1.8831    0.4518 C   0  0  0  0  0
    8.1390    0.9676    0.7908 C   0  0  0  0  0
    6.8100    1.2589    0.4124 C   0  0  0  0  0
    5.5559    0.6495    0.4993 N   0  0  0  0  0
    5.2717   -0.7697    0.7563 C   0  0  0  0  0
    4.9743   -1.1215    2.1978 C   0  0  0  0  0
    3.8465   -0.6284    2.8578 C   0  0  0  0  0
    3.6253   -0.8795    4.2139 C   0  0  0  0  0
    4.5089   -1.6710    4.9560 C   0  0  0  0  0
    5.5575   -2.2896    4.2649 C   0  0  0  0  0
    5.7869   -2.0152    2.9085 C   0  0  0  0  0
    4.3376   -1.7930    6.4174 C   0  0  0  0  0
    3.1116   -2.2976    6.9081 C   0  0  0  0  0
    2.8434   -2.3767    8.2758 C   0  0  0  0  0
    3.8003   -1.9632    9.1915 C   0  0  0  0  0
    5.0263   -1.4791    8.7371 C   0  0  0  0  0
    5.3143   -1.3801    7.3589 C   0  0  0  0  0
    6.6152   -0.8253    6.9824 C   0  0  0  0  0
    7.7340   -0.9747    7.7202 N   0  0  0  0  0
    8.6092   -0.2952    6.9678 N   0  0  0  0  0
    8.1295    0.2391    5.8436 N   0  0  0  0  0
    6.8411   -0.0698    5.8542 N   0  0  0  0  0
    8.5550   -0.2357    1.5109 C   0  0  0  0  0
    8.3130   -1.3850    1.1951 O   0  0  0  0  0
    9.3140    0.0760    2.5777 O   0  0  0  0  0
    0.7495    2.7625    2.2676 H   0  0  0  0  0
    0.7488    1.1878    1.4563 H   0  0  0  0  0
    0.5086    2.6802    0.5209 H   0  0  0  0  0
    3.0495    2.1271    2.1152 H   0  0  0  0  0
    2.8038    3.4073    0.9566 H   0  0  0  0  0
    2.8198    0.4091    0.2332 H   0  0  0  0  0
    2.6912    2.8991   -1.5306 H   0  0  0  0  0
    1.4668    1.6311   -1.3687 H   0  0  0  0  0
    3.0211    1.2658   -2.1266 H   0  0  0  0  0
    7.3298    4.2901   -1.0824 H   0  0  0  0  0
    9.6882    3.7467   -0.4857 H   0  0  0  0  0
   10.1908    1.6656    0.7288 H   0  0  0  0  0
    6.1129   -1.3438    0.3609 H   0  0  0  0  0
    4.4211   -1.0593    0.1287 H   0  0  0  0  0
    3.1135   -0.0266    2.3417 H   0  0  0  0  0
    2.7671   -0.4147    4.6959 H   0  0  0  0  0
    6.2412   -2.9552    4.7877 H   0  0  0  0  0
    6.6283   -2.5044    2.4238 H   0  0  0  0  0
    2.3433   -2.6287    6.2102 H   0  0  0  0  0
    1.8848   -2.7550    8.6217 H   0  0  0  0  0
    3.5966   -2.0114   10.2580 H   0  0  0  0  0
    5.7627   -1.1545    9.4714 H   0  0  0  0  0
    9.5849   -0.1927    7.2315 H   0  0  0  0  0
    9.4560   -0.7743    3.0390 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5 13  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  9 10  2  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 49  1  0  0  0
 17 18  2  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 51  1  0  0  0
 20 52  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  2  0  0  0
 23 54  1  0  0  0
 24 25  1  0  0  0
 24 55  1  0  0  0
 25 26  2  0  0  0
 25 56  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 31  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 57  1  0  0  0
 30 31  2  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
 34 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL69124

>  <PubChem CID>
15654745

>  <Formula>
C26H24N6O2

>  <Molecular Weight>
452.518000

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

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(C)C1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

>  <Isomeric SMILES>
CCC(C)C1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H24N6O2/c1-3-16(2)25-27-22-10-6-9-21(26(33)34)23(22)32(25)15-17-11-13-18(14-12-17)19-7-4-5-8-20(19)24-28-30-31-29-24/h4-14,16H,3,15H2,1-2H3,(H,33,34)(H,28,29,30,31)

>  <InChI Key>
GNEUXAAUDSOSCG-UHFFFAOYSA-N

