
 CHEMBL51349

 59 63  0  0  0  0  0  0  0  0999 V2000
    3.6647   -0.6768    3.2448 C   0  0  0  0  0
    3.8513   -0.2979    1.7844 C   0  0  0  0  0
    4.2453    1.1717    1.6274 C   0  0  0  0  0
    4.5889    1.4970    0.1718 C   0  0  0  0  0
    4.9888    2.9278   -0.0014 C   0  0  0  0  0
    4.1472    3.9385    0.1033 N   0  0  0  0  0
    4.8763    5.0690   -0.1514 C   0  0  0  0  0
    6.1882    4.7505   -0.4811 C   0  0  0  0  0
    6.2621    3.3829   -0.2955 N   0  0  0  0  0
    7.4965    2.6056   -0.3312 C   0  0  0  0  0
    8.1124    2.5265    1.0464 C   0  0  0  0  0
    7.8465    1.4386    1.8826 C   0  0  0  0  0
    8.2108    1.4760    3.2316 C   0  0  0  0  0
    8.8825    2.5830    3.7781 C   0  0  0  0  0
    9.2582    3.6102    2.9016 C   0  0  0  0  0
    8.8645    3.5917    1.5594 C   0  0  0  0  0
    9.1462    2.6556    5.2335 C   0  0  0  0  0
    9.8050    1.5651    5.8466 C   0  0  0  0  0
   10.0620    1.5332    7.2187 C   0  0  0  0  0
    9.6793    2.6004    8.0180 C   0  0  0  0  0
    9.0428    3.6982    7.4422 C   0  0  0  0  0
    8.7609    3.7428    6.0599 C   0  0  0  0  0
    8.0525    4.9221    5.5666 C   0  0  0  0  0
    8.2942    6.1763    5.9980 N   0  0  0  0  0
    7.3974    6.8547    5.2674 N   0  0  0  0  0
    6.6293    6.1263    4.4547 N   0  0  0  0  0
    7.0322    4.8775    4.6453 N   0  0  0  0  0
    7.1200    5.7234   -0.8617 C   0  0  0  0  0
    6.6903    7.0556   -0.8473 C   0  0  0  0  0
    5.3961    7.4044   -0.4534 C   0  0  0  0  0
    4.4665    6.4119   -0.1270 C   0  0  0  0  0
    5.1323    8.7499   -0.4561 O   0  0  0  0  0
    4.1351    9.1707    0.4696 C   0  0  0  0  0
    3.3451   -1.7205    3.3271 H   0  0  0  0  0
    2.9061   -0.0489    3.7221 H   0  0  0  0  0
    4.6025   -0.5660    3.7989 H   0  0  0  0  0
    2.9197   -0.4884    1.2388 H   0  0  0  0  0
    4.6212   -0.9439    1.3466 H   0  0  0  0  0
    5.0969    1.3980    2.2771 H   0  0  0  0  0
    3.4213    1.8095    1.9713 H   0  0  0  0  0
    3.7053    1.3151   -0.4534 H   0  0  0  0  0
    5.3621    0.8157   -0.1937 H   0  0  0  0  0
    8.1866    3.0794   -1.0380 H   0  0  0  0  0
    7.2779    1.6132   -0.7362 H   0  0  0  0  0
    7.2906    0.5789    1.5165 H   0  0  0  0  0
    7.9126    0.6475    3.8716 H   0  0  0  0  0
    9.8085    4.4737    3.2701 H   0  0  0  0  0
    9.1044    4.4518    0.9396 H   0  0  0  0  0
   10.1280    0.7177    5.2430 H   0  0  0  0  0
   10.5603    0.6731    7.6583 H   0  0  0  0  0
    9.8716    2.5820    9.0875 H   0  0  0  0  0
    8.7451    4.5263    8.0846 H   0  0  0  0  0
    7.3009    7.8644    5.3282 H   0  0  0  0  0
    8.1360    5.4748   -1.1446 H   0  0  0  0  0
    7.3890    7.8413   -1.1272 H   0  0  0  0  0
    3.4412    6.6295    0.1386 H   0  0  0  0  0
    4.1521   10.2645    0.5017 H   0  0  0  0  0
    4.3496    8.8038    1.4798 H   0  0  0  0  0
    3.1366    8.8652    0.1429 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  4 42  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 43  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 13 14  2  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 47  1  0  0  0
 16 48  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 49  1  0  0  0
 19 20  2  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 20 51  1  0  0  0
 21 22  2  0  0  0
 21 52  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 53  1  0  0  0
 26 27  2  0  0  0
 28 29  2  0  0  0
 28 54  1  0  0  0
 29 30  1  0  0  0
 29 55  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 31 56  1  0  0  0
 32 33  1  0  0  0
 33 57  1  0  0  0
 33 58  1  0  0  0
 33 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL51349

>  <PubChem CID>
19792185

>  <Formula>
C26H26N6O

>  <Molecular Weight>
438.535000

>  <IUPAC Name>
2-butyl-5-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C26H26N6O/c1-3-4-9-25-27-23-16-20(33-2)14-15-24(23)32(25)17-18-10-12-19(13-11-18)21-7-5-6-8-22(21)26-28-30-31-29-26/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,28,29,30,31)

>  <InChI Key>
HBSLDOJMYCLNOV-UHFFFAOYSA-N

