
 CHEMBL67636

 58 62  0  0  0  0  0  0  0  0999 V2000
    2.6348    2.2264   -1.7634 C   0  0  0  0  0
    2.4889    2.0211   -0.2510 C   0  0  0  0  0
    1.0239    1.7082    0.0684 C   0  0  0  0  0
    3.4052    0.8968    0.2845 C   0  0  0  0  0
    4.8666    1.2554    0.2784 C   0  0  0  0  0
    5.3689    2.3330   -0.2781 N   0  0  0  0  0
    6.7048    2.3069   -0.0160 C   0  0  0  0  0
    7.6584    3.2504   -0.4285 C   0  0  0  0  0
    8.9781    3.0986   -0.0224 C   0  0  0  0  0
    9.3253    2.0481    0.8215 C   0  0  0  0  0
    8.3837    1.0879    1.2650 C   0  0  0  0  0
    7.0628    1.2067    0.7706 C   0  0  0  0  0
    5.8815    0.4752    0.8245 N   0  0  0  0  0
    5.6986   -0.9106    1.2464 C   0  0  0  0  0
    6.2896   -1.9308    0.2923 C   0  0  0  0  0
    6.2119   -1.7816   -1.0963 C   0  0  0  0  0
    6.5696   -2.8319   -1.9505 C   0  0  0  0  0
    7.0226   -4.0717   -1.4612 C   0  0  0  0  0
    7.1885   -4.1780   -0.0732 C   0  0  0  0  0
    6.8023   -3.1380    0.7893 C   0  0  0  0  0
    7.2580   -5.2003   -2.4045 C   0  0  0  0  0
    7.9693   -4.9319   -3.6009 C   0  0  0  0  0
    8.1436   -5.8918   -4.6024 C   0  0  0  0  0
    7.6311   -7.1672   -4.4314 C   0  0  0  0  0
    6.9658   -7.4822   -3.2498 C   0  0  0  0  0
    6.7677   -6.5212   -2.2303 C   0  0  0  0  0
    6.0324   -6.9757   -1.0542 C   0  0  0  0  0
    6.2215   -8.1832   -0.4828 N   0  0  0  0  0
    5.3206   -8.1212    0.5067 N   0  0  0  0  0
    4.6012   -6.9985    0.5773 N   0  0  0  0  0
    5.0364   -6.2588   -0.4343 N   0  0  0  0  0
    8.8142    0.0798    2.2621 C   0  0  0  0  0
    8.2301   -0.9167    2.6337 O   0  0  0  0  0
    9.9790    0.4157    2.8517 O   0  0  0  0  0
    3.6248    2.6058   -2.0304 H   0  0  0  0  0
    1.9054    2.9583   -2.1275 H   0  0  0  0  0
    2.4748    1.2901   -2.3081 H   0  0  0  0  0
    2.7417    2.9642    0.2513 H   0  0  0  0  0
    0.6925    0.7951   -0.4376 H   0  0  0  0  0
    0.3742    2.5287   -0.2571 H   0  0  0  0  0
    0.8746    1.5768    1.1450 H   0  0  0  0  0
    3.2480   -0.0182   -0.2988 H   0  0  0  0  0
    3.1188    0.6792    1.3218 H   0  0  0  0  0
    7.3540    4.0841   -1.0524 H   0  0  0  0  0
    9.7287    3.8182   -0.3392 H   0  0  0  0  0
   10.3626    1.9864    1.1517 H   0  0  0  0  0
    4.6247   -1.1162    1.3054 H   0  0  0  0  0
    6.0568   -0.9989    2.2715 H   0  0  0  0  0
    5.8348   -0.8639   -1.5434 H   0  0  0  0  0
    6.4428   -2.6787   -3.0209 H   0  0  0  0  0
    7.5713   -5.0957    0.3688 H   0  0  0  0  0
    6.8802   -3.2965    1.8641 H   0  0  0  0  0
    8.3924   -3.9422   -3.7703 H   0  0  0  0  0
    8.6713   -5.6340   -5.5171 H   0  0  0  0  0
    7.7462   -7.9170   -5.2096 H   0  0  0  0  0
    6.5737   -8.4917   -3.1277 H   0  0  0  0  0
    5.1871   -8.8860    1.1646 H   0  0  0  0  0
   10.1081   -0.2827    3.5275 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  4  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  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>
CHEMBL67636

>  <PubChem CID>
15654746

>  <Formula>
C26H24N6O2

>  <Molecular Weight>
452.518000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)CC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

>  <Isomeric SMILES>
CC(C)CC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H24N6O2/c1-16(2)14-23-27-22-9-5-8-21(26(33)34)24(22)32(23)15-17-10-12-18(13-11-17)19-6-3-4-7-20(19)25-28-30-31-29-25/h3-13,16H,14-15H2,1-2H3,(H,33,34)(H,28,29,30,31)

>  <InChI Key>
GWCJIMJKZHQVSU-UHFFFAOYSA-N

