
 CHEMBL1223370

 52 54  0  0  0  0  0  0  0  0999 V2000
    3.3912   -1.1805    0.2213 C   0  0  0  0  0
    3.1335   -0.1177    1.2910 C   0  0  0  0  0
    3.8517   -0.4685    2.5967 C   0  0  0  0  0
    3.5110    1.2702    0.8069 C   0  0  0  0  0
    2.5352    2.2683    0.7345 C   0  0  0  0  0
    2.8710    3.5599    0.3177 C   0  0  0  0  0
    4.1863    3.9044   -0.0392 C   0  0  0  0  0
    5.1586    2.9036    0.0431 C   0  0  0  0  0
    4.8241    1.6023    0.4488 C   0  0  0  0  0
    4.4520    5.3138   -0.3886 C   0  0  0  0  0
    3.7133    6.2926    0.1044 N   0  0  0  0  0
    4.1656    7.4703   -0.4288 C   0  0  0  0  0
    3.7066    8.7916   -0.2286 C   0  0  0  0  0
    4.3495    9.8261   -0.9139 C   0  0  0  0  0
    5.4221    9.5673   -1.7679 C   0  0  0  0  0
    5.8986    8.2642   -1.9784 C   0  0  0  0  0
    5.2352    7.2279   -1.2882 C   0  0  0  0  0
    5.3970    5.8472   -1.2520 N   0  0  0  0  0
    6.3587    5.1193   -2.0566 C   0  0  0  0  0
    7.7500    5.1014   -1.4290 C   0  0  0  0  0
    8.5946    4.2405   -2.1970 O   0  0  0  0  0
    9.8923    4.1338   -1.6242 C   0  0  0  0  0
    6.9492    7.9408   -2.7911 O   0  0  0  0  0
    7.5865    9.0036   -3.4901 C   0  0  0  0  0
    2.6595    9.2084    0.5843 O   0  0  0  0  0
    2.0065    8.1773    1.3168 C   0  0  0  0  0
    2.8625   -0.9366   -0.7069 H   0  0  0  0  0
    3.0377   -2.1603    0.5602 H   0  0  0  0  0
    4.4564   -1.2747   -0.0151 H   0  0  0  0  0
    2.0559   -0.1323    1.5037 H   0  0  0  0  0
    4.9382   -0.5198    2.4660 H   0  0  0  0  0
    3.5155   -1.4409    2.9727 H   0  0  0  0  0
    3.6441    0.2794    3.3703 H   0  0  0  0  0
    1.5049    2.0604    1.0151 H   0  0  0  0  0
    2.0896    4.3188    0.2916 H   0  0  0  0  0
    6.2010    3.1031   -0.1714 H   0  0  0  0  0
    5.6122    0.8543    0.5014 H   0  0  0  0  0
    4.0055   10.8484   -0.7749 H   0  0  0  0  0
    5.8731   10.4216   -2.2641 H   0  0  0  0  0
    6.3885    5.5649   -3.0572 H   0  0  0  0  0
    5.9875    4.1047   -2.2306 H   0  0  0  0  0
    7.7061    4.7374   -0.3964 H   0  0  0  0  0
    8.1828    6.1071   -1.4063 H   0  0  0  0  0
   10.5185    3.5424   -2.2975 H   0  0  0  0  0
    9.8367    3.6221   -0.6587 H   0  0  0  0  0
   10.3462    5.1219   -1.5013 H   0  0  0  0  0
    8.3978    8.5733   -4.0851 H   0  0  0  0  0
    8.0315    9.7235   -2.7950 H   0  0  0  0  0
    6.8918    9.4946   -4.1797 H   0  0  0  0  0
    1.2264    8.6474    1.9237 H   0  0  0  0  0
    2.6968    7.6791    2.0052 H   0  0  0  0  0
    1.5120    7.4666    0.6468 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 37  1  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 23  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 25 26  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1223370

>  <PubChem CID>
49865441

>  <Formula>
C21H26N2O3

>  <Molecular Weight>
354.450000

>  <IUPAC Name>
4,7-dimethoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3N2CCOC)OC)OC

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3N2CCOC)OC)OC

>  <InChI Std. ID>
InChI=1S/C21H26N2O3/c1-14(2)15-6-8-16(9-7-15)21-22-19-17(25-4)10-11-18(26-5)20(19)23(21)12-13-24-3/h6-11,14H,12-13H2,1-5H3

>  <InChI Key>
BEFGZKDRCHBNNO-UHFFFAOYSA-N

