
 CHEMBL563451

 54 57  0  0  0  0  0  0  0  0999 V2000
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    5.9266   -0.8411   -1.7867 C   0  0  0  0  0
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    6.0620   -2.5496    1.5230 H   0  0  0  0  0
    6.0679    1.7123    2.2520 H   0  0  0  0  0
    4.9479    1.3323    4.3980 H   0  0  0  0  0
    7.9981   -0.0821    0.6487 H   0  0  0  0  0
    6.6754    0.9100    0.0466 H   0  0  0  0  0
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    0.7923    1.0814   -1.4529 H   0  0  0  0  0
   -0.1867    0.9919   -2.8868 H   0  0  0  0  0
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    1.3373    2.7679   -4.7790 H   0  0  0  0  0
    0.6494    1.1455   -4.9885 H   0  0  0  0  0
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  4 31  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL563451

>  <PubChem CID>
45272876

>  <Formula>
C22H28N4

>  <Molecular Weight>
348.494000

>  <IUPAC Name>
N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-amine

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2N4CCC(CC4)N(C)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2N4CCC(CC4)N(C)C

>  <InChI Std. ID>
InChI=1S/C22H28N4/c1-17-8-10-18(11-9-17)16-26-21-7-5-4-6-20(21)23-22(26)25-14-12-19(13-15-25)24(2)3/h4-11,19H,12-16H2,1-3H3

>  <InChI Key>
AVFYUSOOXDDQAW-UHFFFAOYSA-N

