
 CHEMBL1223074

 63 67  0  0  0  0  0  0  0  0999 V2000
    6.5244    2.2291    1.0266 C   0  0  0  0  0
    6.4900    3.2632   -0.1018 C   0  0  0  0  0
    6.5035    2.6414   -1.4340 N   0  0  0  0  0
    5.3766    1.6983   -1.5849 C   0  0  0  0  0
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    3.2601    2.3087    0.4684 O   0  0  0  0  0
    3.7352    2.0220    2.6826 N   0  0  0  0  0
    4.5848    1.6668    3.8053 C   0  0  0  0  0
    3.9759    0.5030    4.5754 C   0  0  0  0  0
    2.4399    0.6091    4.7748 C   0  0  0  0  0
    1.9439    2.0254    4.4208 C   0  0  0  0  0
    2.4027    2.5059    3.0396 C   0  0  0  0  0
    1.7240   -0.5001    4.1311 N   0  0  0  0  0
    1.9680   -1.8653    4.4129 C   0  0  0  0  0
    2.8253   -2.4708    5.3099 C   0  0  0  0  0
    2.8586   -3.8710    5.3290 C   0  0  0  0  0
    2.0391   -4.6307    4.4688 C   0  0  0  0  0
    1.1580   -4.0063    3.5831 C   0  0  0  0  0
    1.1461   -2.6282    3.5880 C   0  0  0  0  0
    0.3607   -1.7667    2.8417 N   0  0  0  0  0
    0.6685   -0.4450    3.1888 C   0  0  0  0  0
    0.0804    0.5276    2.7446 O   0  0  0  0  0
    6.3891    3.6611   -2.5060 C   0  0  0  0  0
    7.5124    4.7145   -2.5373 C   0  0  0  0  0
    7.3367    5.7144   -3.6582 C   0  0  0  0  0
    6.2241    6.5628   -3.6981 C   0  0  0  0  0
    6.1132    7.4728   -4.7370 C   0  0  0  0  0
    7.0268    7.6035   -5.7206 N   0  0  0  0  0
    8.0981    6.7845   -5.6601 C   0  0  0  0  0
    8.2961    5.8382   -4.6649 C   0  0  0  0  0
    7.4708    1.6750    0.9767 H   0  0  0  0  0
    6.5226    2.7612    1.9829 H   0  0  0  0  0
    7.3837    3.8833    0.0247 H   0  0  0  0  0
    5.6183    3.9186    0.0195 H   0  0  0  0  0
    4.4243    2.2394   -1.6367 H   0  0  0  0  0
    5.4799    1.1692   -2.5409 H   0  0  0  0  0
    4.4076    0.0411   -0.6043 H   0  0  0  0  0
    6.1650   -0.0416   -0.6006 H   0  0  0  0  0
    5.5352    0.3987    1.6196 H   0  0  0  0  0
    4.6733    2.5525    4.4462 H   0  0  0  0  0
    5.5985    1.4064    3.4984 H   0  0  0  0  0
    4.2417   -0.4197    4.0463 H   0  0  0  0  0
    4.4639    0.4471    5.5565 H   0  0  0  0  0
    2.2351    0.4715    5.8449 H   0  0  0  0  0
    0.8561    2.1150    4.5178 H   0  0  0  0  0
    2.3564    2.7163    5.1697 H   0  0  0  0  0
    1.6897    2.2122    2.2654 H   0  0  0  0  0
    2.4394    3.6015    3.0261 H   0  0  0  0  0
    3.4542   -1.9025    5.9833 H   0  0  0  0  0
    3.5269   -4.3836    6.0181 H   0  0  0  0  0
    2.0900   -5.7163    4.5018 H   0  0  0  0  0
    0.5186   -4.5816    2.9262 H   0  0  0  0  0
   -0.3562   -2.0093    2.1786 H   0  0  0  0  0
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    6.3929    3.1450   -3.4767 H   0  0  0  0  0
    8.4809    4.2079   -2.6322 H   0  0  0  0  0
    7.5473    5.2869   -1.6036 H   0  0  0  0  0
    5.4531    6.5225   -2.9341 H   0  0  0  0  0
    5.2603    8.1429   -4.8036 H   0  0  0  0  0
    8.8222    6.9126   -6.4592 H   0  0  0  0  0
    9.1846    5.2164   -4.6805 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
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 10 43  1  0  0  0
 11 12  1  0  0  0
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 25 26  1  0  0  0
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 26 27  1  0  0  0
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 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 29 30  2  0  0  0
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 30 31  1  0  0  0
 31 32  2  0  0  0
 31 62  1  0  0  0
 32 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1223074

>  <PubChem CID>
49865222

>  <Formula>
C25H31N5O2

>  <Molecular Weight>
433.556000

>  <IUPAC Name>
3-[1-[1-(2-pyridin-4-ylethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CCC5=CC=NC=C5

>  <Isomeric SMILES>
C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CCC5=CC=NC=C5

>  <InChI Std. ID>
InChI=1S/C25H31N5O2/c31-24(20-8-15-28(16-9-20)14-7-19-5-12-26-13-6-19)29-17-10-21(11-18-29)30-23-4-2-1-3-22(23)27-25(30)32/h1-6,12-13,20-21H,7-11,14-18H2,(H,27,32)

>  <InChI Key>
BJLDKCODBKPRQX-UHFFFAOYSA-N

