
 CHEMBL489577

 62 66  0  0  0  0  0  0  0  0999 V2000
   -0.2523   -1.6351   -1.3510 C   0  0  0  0  0
    1.1496   -1.9602   -1.1027 N   0  0  0  0  0
    1.7643   -2.6939   -2.2181 C   0  0  0  0  0
    2.0804   -1.8223   -3.4372 C   0  0  0  0  0
    2.9904   -0.6266   -3.0766 C   0  0  0  0  0
    2.2644    0.1327   -1.9416 C   0  0  0  0  0
    1.9474   -0.7771   -0.7510 C   0  0  0  0  0
    4.3806   -1.0341   -2.7220 N   0  0  0  0  0
    5.0954   -1.7289   -3.8197 C   0  0  0  0  0
    5.3896   -0.8548   -5.0531 C   0  0  0  0  0
    5.9458    0.4691   -4.7514 N   0  0  0  0  0
    5.5203    1.0990   -3.4934 C   0  0  0  0  0
    5.2514    0.1052   -2.3486 C   0  0  0  0  0
    6.4265    1.2036   -5.8601 C   0  0  0  0  0
    6.7137    0.5997   -6.8969 O   0  0  0  0  0
    6.5207    2.6706   -5.7852 C   0  0  0  0  0
    5.9643    3.4062   -4.8328 N   0  0  0  0  0
    6.1835    4.7140   -5.1575 C   0  0  0  0  0
    5.7998    5.8752   -4.4720 C   0  0  0  0  0
    6.1358    7.1193   -5.0159 C   0  0  0  0  0
    6.8390    7.2031   -6.2179 C   0  0  0  0  0
    7.2326    6.0524   -6.9113 C   0  0  0  0  0
    6.8866    4.8163   -6.3485 C   0  0  0  0  0
    7.1171    3.5049   -6.7201 N   0  0  0  0  0
    7.8571    3.1041   -7.9097 C   0  0  0  0  0
    9.3084    2.7686   -7.6440 C   0  0  0  0  0
    9.9504    1.8390   -8.4785 C   0  0  0  0  0
   11.3080    1.5505   -8.3203 C   0  0  0  0  0
   12.0466    2.1901   -7.3284 C   0  0  0  0  0
   11.4295    3.1212   -6.4982 C   0  0  0  0  0
   10.0738    3.4159   -6.6601 C   0  0  0  0  0
   -0.6963   -1.1623   -0.4678 H   0  0  0  0  0
   -0.8293   -2.5484   -1.5347 H   0  0  0  0  0
   -0.4000   -0.9649   -2.2033 H   0  0  0  0  0
    1.1157   -3.5252   -2.5212 H   0  0  0  0  0
    2.6879   -3.1643   -1.8579 H   0  0  0  0  0
    2.5100   -2.4386   -4.2323 H   0  0  0  0  0
    1.1443   -1.4359   -3.8620 H   0  0  0  0  0
    3.0143    0.0380   -3.9483 H   0  0  0  0  0
    2.8316    1.0045   -1.6022 H   0  0  0  0  0
    1.3306    0.5516   -2.3398 H   0  0  0  0  0
    2.8844   -1.1136   -0.2895 H   0  0  0  0  0
    1.4343   -0.1977    0.0266 H   0  0  0  0  0
    4.5746   -2.6421   -4.1230 H   0  0  0  0  0
    6.0533   -2.0900   -3.4193 H   0  0  0  0  0
    6.0794   -1.3937   -5.7130 H   0  0  0  0  0
    4.4671   -0.6911   -5.6236 H   0  0  0  0  0
    6.3090    1.7819   -3.1612 H   0  0  0  0  0
    4.6126    1.6766   -3.6991 H   0  0  0  0  0
    6.2150   -0.3017   -2.0101 H   0  0  0  0  0
    4.8670    0.6353   -1.4720 H   0  0  0  0  0
    5.2528    5.8004   -3.5390 H   0  0  0  0  0
    5.8446    8.0279   -4.4944 H   0  0  0  0  0
    7.0898    8.1815   -6.6232 H   0  0  0  0  0
    7.7879    6.1302   -7.8400 H   0  0  0  0  0
    7.8150    3.9292   -8.6297 H   0  0  0  0  0
    7.3234    2.2727   -8.3776 H   0  0  0  0  0
    9.3945    1.3296   -9.2637 H   0  0  0  0  0
   11.7894    0.8277   -8.9743 H   0  0  0  0  0
   13.1026    1.9657   -7.2040 H   0  0  0  0  0
   12.0038    3.6254   -5.7251 H   0  0  0  0  0
    9.6328    4.1612   -6.0018 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  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  8  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 48  1  0  0  0
 12 49  1  0  0  0
 13 50  1  0  0  0
 13 51  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 24  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 52  1  0  0  0
 20 21  2  0  0  0
 20 53  1  0  0  0
 21 22  1  0  0  0
 21 54  1  0  0  0
 22 23  2  0  0  0
 22 55  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 25 57  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 28 29  2  0  0  0
 28 59  1  0  0  0
 29 30  1  0  0  0
 29 60  1  0  0  0
 30 31  2  0  0  0
 30 61  1  0  0  0
 31 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL489577

>  <PubChem CID>
44579765

>  <Formula>
C25H31N5O

>  <Molecular Weight>
417.557000

>  <IUPAC Name>
(1-benzylbenzimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC(CC1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CN1CCC(CC1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C25H31N5O/c1-27-13-11-21(12-14-27)28-15-17-29(18-16-28)25(31)24-26-22-9-5-6-10-23(22)30(24)19-20-7-3-2-4-8-20/h2-10,21H,11-19H2,1H3

>  <InChI Key>
VILOXEIUKQLLOD-UHFFFAOYSA-N

