
 CHEMBL369786

 63 66  0  0  0  0  0  0  0  0999 V2000
    4.1989   -3.4495   -1.7797 C   0  0  0  0  0
    3.2783   -4.0764   -0.7694 C   0  0  0  0  0
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    0.6756   -0.5657   -2.2066 C   0  0  0  0  0
    0.5283    0.7664   -1.5869 N   0  0  0  0  0
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    0.6256    2.9585    4.8430 C   0  0  0  0  0
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    3.8751   -2.4311   -2.0170 H   0  0  0  0  0
    4.2155   -4.0500   -2.6946 H   0  0  0  0  0
    5.2245   -3.3845   -1.4007 H   0  0  0  0  0
    4.8898   -4.6313    0.5702 H   0  0  0  0  0
    3.4140   -5.7144    2.2235 H   0  0  0  0  0
    0.9699   -5.8194    1.8233 H   0  0  0  0  0
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    0.2939   -1.8269   -0.4980 H   0  0  0  0  0
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    0.3437   -0.4677   -3.2458 H   0  0  0  0  0
    1.7443   -0.8067   -2.2686 H   0  0  0  0  0
    2.2202    0.5388   -0.3597 H   0  0  0  0  0
    0.6939    0.1752    0.4545 H   0  0  0  0  0
    1.6971    2.3168    1.1824 H   0  0  0  0  0
    1.6852    2.9225   -0.4551 H   0  0  0  0  0
   -0.2459    3.8898    0.5870 H   0  0  0  0  0
   -2.0384    2.9507   -0.9396 H   0  0  0  0  0
   -0.5091    3.3254   -1.6968 H   0  0  0  0  0
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    1.4859    3.4286    5.3156 H   0  0  0  0  0
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   -1.8411   -1.5181   -3.6554 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 28  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
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 20 21  1  0  0  0
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 21 22  2  0  0  0
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 26 27  2  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
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 30 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL369786

>  <PubChem CID>
44391079

>  <Formula>
C25H33N3O2

>  <Molecular Weight>
407.558000

>  <IUPAC Name>
3-[1-[4-methyl-3-(2-methylphenoxy)pentyl]piperidin-4-yl]-1H-benzimidazol-2-one

>  <XlogP>
5.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1OC(CCN2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(C)C

>  <Isomeric SMILES>
CC1=CC=CC=C1OC(CCN2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(C)C

>  <InChI Std. ID>
InChI=1S/C25H33N3O2/c1-18(2)23(30-24-11-7-4-8-19(24)3)14-17-27-15-12-20(13-16-27)28-22-10-6-5-9-21(22)26-25(28)29/h4-11,18,20,23H,12-17H2,1-3H3,(H,26,29)

>  <InChI Key>
AGLOLGURRWOWKK-UHFFFAOYSA-N

