
 CHEMBL51634

 59 63  0  0  0  0  0  0  0  0999 V2000
    4.6566   -1.7694   -2.8973 C   0  0  0  0  0
    3.9332   -0.8419   -1.9326 C   0  0  0  0  0
    4.7922    0.3730   -1.5844 C   0  0  0  0  0
    4.0833    1.3019   -0.5927 C   0  0  0  0  0
    4.8639    2.5521   -0.3311 C   0  0  0  0  0
    6.0433    2.8293   -0.8490 N   0  0  0  0  0
    6.3350    4.1055   -0.4583 C   0  0  0  0  0
    5.3025    4.6527    0.2989 C   0  0  0  0  0
    4.4310    3.5914    0.4757 N   0  0  0  0  0
    3.2823    3.5540    1.3747 C   0  0  0  0  0
    3.6885    3.1467    2.7752 C   0  0  0  0  0
    4.1574    4.1017    3.6857 C   0  0  0  0  0
    4.6663    3.7205    4.9291 C   0  0  0  0  0
    4.7168    2.3716    5.3046 C   0  0  0  0  0
    4.1786    1.4218    4.4251 C   0  0  0  0  0
    3.6749    1.8029    3.1755 C   0  0  0  0  0
    5.3562    1.9814    6.5741 C   0  0  0  0  0
    4.7443    2.3850    7.7799 C   0  0  0  0  0
    5.3028    2.0770    9.0217 C   0  0  0  0  0
    6.4850    1.3514    9.0873 C   0  0  0  0  0
    7.1059    0.9333    7.9106 C   0  0  0  0  0
    6.5637    1.2430    6.6454 C   0  0  0  0  0
    7.3013    0.7988    5.4627 C   0  0  0  0  0
    8.0392   -0.3275    5.4159 N   0  0  0  0  0
    8.4966   -0.2569    4.1574 N   0  0  0  0  0
    8.1205    0.8104    3.4521 N   0  0  0  0  0
    7.3592    1.5052    4.2839 N   0  0  0  0  0
    5.3159    5.9969    0.7141 C   0  0  0  0  0
    6.4729    6.7388    0.4192 C   0  0  0  0  0
    7.5379    6.1846   -0.2921 C   0  0  0  0  0
    7.4737    4.8685   -0.7519 C   0  0  0  0  0
    4.2320    6.5033    1.3790 O   0  0  0  0  0
    4.0161    7.9026    1.2301 C   0  0  0  0  0
    4.0230   -2.6248   -3.1490 H   0  0  0  0  0
    5.5825   -2.1508   -2.4539 H   0  0  0  0  0
    4.9107   -1.2492   -3.8264 H   0  0  0  0  0
    3.6787   -1.3951   -1.0220 H   0  0  0  0  0
    2.9930   -0.5129   -2.3888 H   0  0  0  0  0
    5.0313    0.9207   -2.5044 H   0  0  0  0  0
    5.7457    0.0397   -1.1559 H   0  0  0  0  0
    3.9189    0.7617    0.3447 H   0  0  0  0  0
    3.1004    1.5774   -0.9963 H   0  0  0  0  0
    2.5461    2.8514    0.9696 H   0  0  0  0  0
    2.7937    4.5324    1.3690 H   0  0  0  0  0
    4.1750    5.1557    3.4244 H   0  0  0  0  0
    5.0711    4.4868    5.5869 H   0  0  0  0  0
    4.1892    0.3663    4.6897 H   0  0  0  0  0
    3.3055    1.0297    2.5084 H   0  0  0  0  0
    3.8151    2.9501    7.7515 H   0  0  0  0  0
    4.8139    2.4069    9.9350 H   0  0  0  0  0
    6.9296    1.1130   10.0508 H   0  0  0  0  0
    8.0367    0.3715    7.9814 H   0  0  0  0  0
    9.0994   -0.9710    3.7583 H   0  0  0  0  0
    6.5744    7.7666    0.7528 H   0  0  0  0  0
    8.4225    6.7811   -0.4998 H   0  0  0  0  0
    8.2833    4.4303   -1.3255 H   0  0  0  0  0
    3.0114    8.1255    1.6012 H   0  0  0  0  0
    4.0596    8.2082    0.1786 H   0  0  0  0  0
    4.7268    8.4732    1.8365 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  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  7 31  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 28  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
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 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 32  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 30 31  2  0  0  0
 30 55  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>
CHEMBL51634

>  <PubChem CID>
19792154

>  <Formula>
C26H26N6O

>  <Molecular Weight>
438.535000

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

>  <InChI Key>
ACZMKFZUWWULIT-UHFFFAOYSA-N

