
 CHEMBL1087089

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.1048   -1.2021   -1.1611 C   0  0  0  0  0
   -0.3749    0.1275   -0.7983 N   0  0  0  0  0
   -0.1013    0.4573    0.6071 C   0  0  0  0  0
    1.3685    0.7691    0.8991 C   0  0  0  0  0
    1.8974    1.8658   -0.0204 C   0  0  0  0  0
    1.6248    1.5310   -1.4955 C   0  0  0  0  0
    0.1344    1.1829   -1.6954 C   0  0  0  0  0
    2.0253    2.6879   -2.3727 C   0  0  0  0  0
    1.5927    3.9258   -2.2212 N   0  0  0  0  0
    2.2639    4.6823   -3.1440 C   0  0  0  0  0
    2.2137    6.0654   -3.3688 C   0  0  0  0  0
    3.0346    6.6183   -4.3586 C   0  0  0  0  0
    3.8794    5.8078   -5.1180 C   0  0  0  0  0
    3.9292    4.4235   -4.9186 C   0  0  0  0  0
    3.1071    3.8920   -3.9154 C   0  0  0  0  0
    2.9236    2.6171   -3.4195 N   0  0  0  0  0
    3.5673    1.4206   -3.9437 C   0  0  0  0  0
    4.8411    1.0353   -3.2212 C   0  0  0  0  0
    5.6925    1.9783   -2.6175 C   0  0  0  0  0
    6.8920    1.5808   -2.0234 C   0  0  0  0  0
    7.2542    0.2417   -2.0387 C   0  0  0  0  0
    6.4391   -0.7097   -2.6371 C   0  0  0  0  0
    5.2384   -0.3145   -3.2309 C   0  0  0  0  0
    8.4095   -0.1370   -1.4776 F   0  0  0  0  0
   -0.1837   -1.4439   -2.1899 H   0  0  0  0  0
   -0.3600   -1.9620   -0.5229 H   0  0  0  0  0
    1.1906   -1.3098   -1.0792 H   0  0  0  0  0
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   -0.7098    1.3294    0.8807 H   0  0  0  0  0
    1.4739    1.0874    1.9427 H   0  0  0  0  0
    1.9785   -0.1345    0.7838 H   0  0  0  0  0
    1.4175    2.8158    0.2509 H   0  0  0  0  0
    2.9732    2.0022    0.1451 H   0  0  0  0  0
    2.2247    0.6501   -1.7472 H   0  0  0  0  0
   -0.4789    2.0807   -1.5353 H   0  0  0  0  0
   -0.0484    0.8982   -2.7401 H   0  0  0  0  0
    1.5592    6.6879   -2.7693 H   0  0  0  0  0
    3.0159    7.6917   -4.5306 H   0  0  0  0  0
    4.5161    6.2610   -5.8754 H   0  0  0  0  0
    4.5987    3.8037   -5.5052 H   0  0  0  0  0
    3.7875    1.5874   -5.0041 H   0  0  0  0  0
    2.8283    0.6125   -3.8961 H   0  0  0  0  0
    5.4432    3.0377   -2.5992 H   0  0  0  0  0
    7.5464    2.3107   -1.5566 H   0  0  0  0  0
    6.7479   -1.7502   -2.6445 H   0  0  0  0  0
    4.6186   -1.0703   -3.7102 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
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 10 11  2  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
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 18 23  1  0  0  0
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 23 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1087089

>  <PubChem CID>
46861860

>  <Formula>
C20H22FN3

>  <Molecular Weight>
323.415000

>  <IUPAC Name>
1-[(4-fluorophenyl)methyl]-2-(1-methylpiperidin-3-yl)benzimidazole

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCCC(C1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN1CCCC(C1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3

>  <InChI Key>
AXIFLPLKZRNVDP-UHFFFAOYSA-N

