
 CHEMBL3794051

 59 61  0  0  0  0  0  0  0  0999 V2000
    4.7023   -2.1085   -0.4509 C   0  0  0  0  0
    4.3050   -0.6930   -0.0490 C   0  0  0  0  0
    4.7018    0.3025   -1.1414 C   0  0  0  0  0
    4.2857    1.6980   -0.8738 N   0  0  0  0  0
    2.8269    1.9409   -0.8012 C   0  0  0  0  0
    2.0754    1.4988   -2.0589 C   0  0  0  0  0
    0.5792    1.7473   -1.9172 C   0  0  0  0  0
    5.1149    2.4450   -0.0058 C   0  0  0  0  0
    4.5812    3.2499    1.0399 C   0  0  0  0  0
    5.3530    3.9892    1.9427 C   0  0  0  0  0
    6.7367    3.9223    1.8988 C   0  0  0  0  0
    7.3257    3.1371    0.9012 C   0  0  0  0  0
    6.5340    2.4988   -0.0595 C   0  0  0  0  0
    7.4969    2.0807   -0.9649 N   0  0  0  0  0
    8.7154    2.0811   -0.3191 C   0  0  0  0  0
    8.6590    2.8606    0.7373 N   0  0  0  0  0
    9.8146    1.4178   -0.7457 N   0  0  0  0  0
    9.8110    0.1161   -1.3208 C   0  0  0  0  0
    9.0189   -0.9479   -0.8420 C   0  0  0  0  0
    8.9606   -2.1487   -1.5729 C   0  0  0  0  0
    9.7652   -2.3531   -2.6965 C   0  0  0  0  0
   10.6699   -1.3565   -3.0652 C   0  0  0  0  0
   10.7283   -0.1403   -2.3658 C   0  0  0  0  0
   11.7550    0.8870   -2.7719 C   0  0  0  0  0
    9.6353   -3.6068   -3.5101 C   0  0  0  0  0
    8.2420   -0.8755    0.4450 C   0  0  0  0  0
    7.3190    1.9137   -2.3895 C   0  0  0  0  0
    4.4940   -2.8128    0.3625 H   0  0  0  0  0
    5.7681   -2.1731   -0.6881 H   0  0  0  0  0
    4.1415   -2.4355   -1.3342 H   0  0  0  0  0
    4.7966   -0.4318    0.8933 H   0  0  0  0  0
    3.2258   -0.6727    0.1320 H   0  0  0  0  0
    4.2832   -0.0154   -2.1027 H   0  0  0  0  0
    5.7756    0.2186   -1.2848 H   0  0  0  0  0
    2.6313    3.0180   -0.7009 H   0  0  0  0  0
    2.4048    1.4461    0.0841 H   0  0  0  0  0
    2.2194    0.4346   -2.2606 H   0  0  0  0  0
    2.4581    2.0502   -2.9251 H   0  0  0  0  0
    0.1551    1.1166   -1.1283 H   0  0  0  0  0
    0.0643    1.5089   -2.8533 H   0  0  0  0  0
    0.3690    2.7934   -1.6687 H   0  0  0  0  0
    3.5069    3.3075    1.1956 H   0  0  0  0  0
    4.8659    4.5929    2.7046 H   0  0  0  0  0
    7.3559    4.4512    2.6141 H   0  0  0  0  0
   10.5975    1.5080   -0.1028 H   0  0  0  0  0
    8.2898   -2.9431   -1.2495 H   0  0  0  0  0
   11.3358   -1.5236   -3.9101 H   0  0  0  0  0
   12.2906    1.2535   -1.8915 H   0  0  0  0  0
   11.2737    1.7244   -3.2854 H   0  0  0  0  0
   12.5052    0.4545   -3.4385 H   0  0  0  0  0
   10.5745   -3.8461   -4.0185 H   0  0  0  0  0
    8.8510   -3.4794   -4.2624 H   0  0  0  0  0
    9.3803   -4.4614   -2.8743 H   0  0  0  0  0
    8.8265   -0.3803    1.2273 H   0  0  0  0  0
    8.0107   -1.8790    0.8224 H   0  0  0  0  0
    7.2944   -0.3539    0.3094 H   0  0  0  0  0
    8.1545    2.3953   -2.9055 H   0  0  0  0  0
    6.3928    2.3987   -2.7031 H   0  0  0  0  0
    7.2976    0.8514   -2.6347 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3794051

>  <PubChem CID>
11210737

>  <Formula>
C23H32N4

>  <Molecular Weight>
364.537000

>  <IUPAC Name>
3-methyl-4-N,4-N-dipropyl-2-N-(2,4,6-trimethylphenyl)benzimidazole-2,4-diamine

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)C1=CC=CC2=C1N(C(=N2)NC3=C(C=C(C=C3C)C)C)C

>  <Isomeric SMILES>
CCCN(CCC)C1=CC=CC2=C1N(C(=N2)NC3=C(C=C(C=C3C)C)C)C

>  <InChI Std. ID>
InChI=1S/C23H32N4/c1-7-12-27(13-8-2)20-11-9-10-19-22(20)26(6)23(24-19)25-21-17(4)14-16(3)15-18(21)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,24,25)

>  <InChI Key>
AROLCVGOMJTDQA-UHFFFAOYSA-N

