
 CHEMBL317146

 55 57  0  0  0  0  0  0  0  0999 V2000
    0.5080    1.7928   -3.1666 C   0  0  0  0  0
    1.9928    1.9187   -3.0229 C   0  0  0  0  0
    2.6577    2.4743   -1.9279 C   0  0  0  0  0
    4.0648    2.5229   -1.8969 C   0  0  0  0  0
    4.8391    2.0452   -2.9433 C   0  0  0  0  0
    4.1899    1.5053   -4.0481 C   0  0  0  0  0
    2.7908    1.4429   -4.0855 C   0  0  0  0  0
    4.4862    3.1257   -0.6894 N   0  0  0  0  0
    3.3191    3.4550    0.0527 C   0  0  0  0  0
    3.2844    3.9961    1.1514 O   0  0  0  0  0
    2.1981    3.0636   -0.7260 N   0  0  0  0  0
    0.8241    3.2564   -0.2921 C   0  0  0  0  0
    0.4741    2.3537    0.8916 C   0  0  0  0  0
    0.5219    4.7230    0.0293 C   0  0  0  0  0
    5.8112    3.3117   -0.3105 C   0  0  0  0  0
    6.7846    2.8898   -0.9369 O   0  0  0  0  0
    5.9876    3.9964    0.8687 N   0  0  0  0  0
    7.3067    4.3538    1.3553 C   0  0  0  0  0
    7.9425    5.5439    0.6038 C   0  0  0  0  0
    7.1864    6.8166    0.6713 N   0  0  0  0  0
    7.1169    7.3786    2.0363 C   0  0  0  0  0
    8.4533    7.9467    2.5755 C   0  0  0  0  0
    9.1171    8.9263    1.6928 N   0  0  0  0  0
    9.1481    8.4174    0.3065 C   0  0  0  0  0
    7.8093    7.8309   -0.2130 C   0  0  0  0  0
    8.4673   10.2342    1.7643 C   0  0  0  0  0
    0.2352    1.2578   -4.0836 H   0  0  0  0  0
    0.0440    2.7815   -3.2295 H   0  0  0  0  0
    0.0882    1.2168   -2.3365 H   0  0  0  0  0
    5.9228    2.0865   -2.9297 H   0  0  0  0  0
    4.7719    1.1295   -4.8868 H   0  0  0  0  0
    2.3223    1.0110   -4.9695 H   0  0  0  0  0
    0.1480    2.9951   -1.1006 H   0  0  0  0  0
    1.0867    2.5757    1.7713 H   0  0  0  0  0
    0.6316    1.3007    0.6340 H   0  0  0  0  0
   -0.5770    2.4768    1.1750 H   0  0  0  0  0
    1.0357    5.0647    0.9326 H   0  0  0  0  0
   -0.5522    4.8660    0.1903 H   0  0  0  0  0
    0.8284    5.3718   -0.7985 H   0  0  0  0  0
    5.1875    4.4997    1.2418 H   0  0  0  0  0
    7.9599    3.4804    1.2441 H   0  0  0  0  0
    7.2189    4.5538    2.4263 H   0  0  0  0  0
    8.0278    5.2558   -0.4520 H   0  0  0  0  0
    8.9667    5.6685    0.9724 H   0  0  0  0  0
    6.7202    6.6430    2.7433 H   0  0  0  0  0
    6.3698    8.1833    2.0284 H   0  0  0  0  0
    8.2877    8.3845    3.5679 H   0  0  0  0  0
    9.1514    7.1169    2.7426 H   0  0  0  0  0
    9.4899    9.2050   -0.3772 H   0  0  0  0  0
    9.9205    7.6399    0.2538 H   0  0  0  0  0
    7.0910    8.6504   -0.3460 H   0  0  0  0  0
    7.9595    7.4160   -1.2174 H   0  0  0  0  0
    9.0140   10.9635    1.1561 H   0  0  0  0  0
    8.4878   10.6143    2.7920 H   0  0  0  0  0
    7.4265   10.2199    1.4264 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  7  1  0  0  0
  2  3  2  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 15 16  2  0  0  0
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 18 19  1  0  0  0
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 19 20  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL317146

>  <PubChem CID>
10760942

>  <Formula>
C19H29N5O2

>  <Molecular Weight>
359.474000

>  <IUPAC Name>
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C2C(=CC=C1)N(C(=O)N2C(C)C)C(=O)NCCN3CCN(CC3)C

>  <Isomeric SMILES>
CC1=C2C(=CC=C1)N(C(=O)N2C(C)C)C(=O)NCCN3CCN(CC3)C

>  <InChI Std. ID>
InChI=1S/C19H29N5O2/c1-14(2)23-17-15(3)6-5-7-16(17)24(19(23)26)18(25)20-8-9-22-12-10-21(4)11-13-22/h5-7,14H,8-13H2,1-4H3,(H,20,25)

>  <InChI Key>
FGOPZMFONBCRCY-UHFFFAOYSA-N

