
 CHEMBL584690

 50 54  0  0  0  0  0  0  0  0999 V2000
    2.6948   -0.9208    0.5524 C   0  0  0  0  0
    3.8340   -0.5838   -0.2962 N   0  0  0  0  0
    4.4115   -1.7838   -0.9439 C   0  0  0  0  0
    3.5621   -2.3952   -2.0852 C   0  0  0  0  0
    3.2261   -1.3822   -3.1127 N   0  0  0  0  0
    2.6148   -0.1747   -2.5154 C   0  0  0  0  0
    3.4640    0.3958   -1.3500 C   0  0  0  0  0
    4.1648   -1.2127   -4.1584 C   0  0  0  0  0
    4.6095   -2.3609   -4.8684 C   0  0  0  0  0
    5.5244   -2.3139   -5.9261 C   0  0  0  0  0
    6.0412   -1.1030   -6.3708 C   0  0  0  0  0
    5.5817    0.0387   -5.7197 C   0  0  0  0  0
    4.6806    0.0240   -4.6552 C   0  0  0  0  0
    4.4376    1.3273   -4.2423 N   0  0  0  0  0
    5.1300    2.1136   -5.0420 C   0  0  0  0  0
    5.8522    1.3644   -5.9344 N   0  0  0  0  0
    5.1566    3.5646   -5.0323 C   0  0  0  0  0
    5.8126    4.1921   -5.8633 O   0  0  0  0  0
    4.3632    4.3180   -4.0136 C   0  0  0  0  0
    3.0346    3.9216   -3.7819 C   0  0  0  0  0
    2.2438    4.6041   -2.8651 C   0  0  0  0  0
    2.7654    5.7006   -2.1857 C   0  0  0  0  0
    4.0815    6.1337   -2.4096 C   0  0  0  0  0
    4.5700    7.2538   -1.7159 C   0  0  0  0  0
    5.8702    7.7128   -1.9137 C   0  0  0  0  0
    6.7032    7.0511   -2.8033 C   0  0  0  0  0
    6.2339    5.9324   -3.4969 C   0  0  0  0  0
    4.9117    5.4451   -3.3323 C   0  0  0  0  0
    2.3242   -0.0249    1.0627 H   0  0  0  0  0
    3.0005   -1.6205    1.3384 H   0  0  0  0  0
    1.8594   -1.3698    0.0067 H   0  0  0  0  0
    4.6117   -2.5533   -0.1882 H   0  0  0  0  0
    5.3934   -1.5056   -1.3490 H   0  0  0  0  0
    4.0851   -3.2668   -2.4907 H   0  0  0  0  0
    2.6223   -2.7853   -1.6751 H   0  0  0  0  0
    2.3856    0.5910   -3.2628 H   0  0  0  0  0
    1.6330   -0.4673   -2.1210 H   0  0  0  0  0
    4.3994    0.8083   -1.7439 H   0  0  0  0  0
    2.9365    1.2450   -0.8984 H   0  0  0  0  0
    4.2014   -3.3363   -4.6109 H   0  0  0  0  0
    5.8214   -3.2386   -6.4161 H   0  0  0  0  0
    6.7434   -1.0561   -7.1959 H   0  0  0  0  0
    6.4584    1.7524   -6.6436 H   0  0  0  0  0
    2.6023    3.0796   -4.3185 H   0  0  0  0  0
    1.2200    4.2868   -2.6844 H   0  0  0  0  0
    2.1284    6.2238   -1.4745 H   0  0  0  0  0
    3.9337    7.7854   -1.0109 H   0  0  0  0  0
    6.2295    8.5843   -1.3731 H   0  0  0  0  0
    7.7194    7.4015   -2.9647 H   0  0  0  0  0
    6.9256    5.4473   -4.1823 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL584690

>  <PubChem CID>
45488152

>  <Formula>
C23H22N4O

>  <Molecular Weight>
370.456000

>  <IUPAC Name>
[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=CC=CC3=C2N=C(N3)C(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
CN1CCN(CC1)C2=CC=CC3=C2N=C(N3)C(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C23H22N4O/c1-26-12-14-27(15-13-26)20-11-5-10-19-21(20)25-23(24-19)22(28)18-9-4-7-16-6-2-3-8-17(16)18/h2-11H,12-15H2,1H3,(H,24,25)

>  <InChI Key>
RWYIFLFDQKYUEK-UHFFFAOYSA-N

