
 CHEMBL510055

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.1188    1.2500    0.9558 C   0  0  0  0  0
    2.3313    0.8412    0.3409 O   0  0  0  0  0
    3.3895    1.7226    0.3629 C   0  0  0  0  0
    3.3396    2.9757    0.9932 C   0  0  0  0  0
    4.4409    3.8308    0.9656 C   0  0  0  0  0
    5.5986    3.4444    0.3060 C   0  0  0  0  0
    5.6594    2.2014   -0.3269 C   0  0  0  0  0
    4.5701    1.3087   -0.3132 C   0  0  0  0  0
    4.6472    0.0286   -0.9190 N   0  0  0  0  0
    4.7574   -1.0428    0.0980 C   0  0  0  0  0
    4.7870   -2.4453   -0.5546 C   0  0  0  0  0
    5.8025   -2.6233   -1.6194 N   0  0  0  0  0
    5.5303   -1.5718   -2.6371 C   0  0  0  0  0
    5.5344   -0.1213   -2.0895 C   0  0  0  0  0
    7.1920   -2.5170   -1.1289 C   0  0  0  0  0
    7.6000   -3.5889   -0.0993 C   0  0  0  0  0
    9.0380   -3.4262    0.3592 C   0  0  0  0  0
    9.4354   -2.2479    1.0266 C   0  0  0  0  0
   10.7743   -2.1406    1.4214 C   0  0  0  0  0
   11.7180   -3.1438    1.2070 C   0  0  0  0  0
   11.2891   -4.3149    0.5627 C   0  0  0  0  0
    9.9646   -4.4557    0.1395 C   0  0  0  0  0
   12.4581   -5.5371    0.3268 Cl  0  0  0  0  0
   12.9474   -2.7559    1.7032 N   0  0  0  0  0
   12.7635   -1.5554    2.2009 C   0  0  0  0  0
   11.4698   -1.1436    2.0576 N   0  0  0  0  0
    0.3915    0.4431    0.8305 H   0  0  0  0  0
    0.7104    2.1431    0.4723 H   0  0  0  0  0
    1.2553    1.4073    2.0303 H   0  0  0  0  0
    2.4528    3.3182    1.5143 H   0  0  0  0  0
    4.3905    4.7982    1.4583 H   0  0  0  0  0
    6.4604    4.1058    0.2843 H   0  0  0  0  0
    6.5941    1.9383   -0.8065 H   0  0  0  0  0
    3.9065   -1.0235    0.7891 H   0  0  0  0  0
    5.6642   -0.8975    0.6999 H   0  0  0  0  0
    4.9018   -3.2105    0.2196 H   0  0  0  0  0
    3.8004   -2.6421   -0.9962 H   0  0  0  0  0
    6.2553   -1.6540   -3.4570 H   0  0  0  0  0
    4.5509   -1.7773   -3.0891 H   0  0  0  0  0
    6.5680    0.1429   -1.8463 H   0  0  0  0  0
    5.1992    0.5525   -2.8871 H   0  0  0  0  0
    7.3840   -1.5260   -0.7060 H   0  0  0  0  0
    7.8673   -2.6135   -1.9896 H   0  0  0  0  0
    7.4527   -4.5845   -0.5364 H   0  0  0  0  0
    6.9702   -3.5416    0.7965 H   0  0  0  0  0
    8.7307   -1.4463    1.2281 H   0  0  0  0  0
    9.6621   -5.3727   -0.3600 H   0  0  0  0  0
   13.5211   -0.9433    2.6728 H   0  0  0  0  0
   11.0942   -0.2580    2.3632 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 26  1  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 22 47  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 26 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL510055

>  <PubChem CID>
25105311

>  <Formula>
C20H23ClN4O

>  <Molecular Weight>
370.881000

>  <IUPAC Name>
4-chloro-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCC3=CC4=C(C(=C3)Cl)N=CN4

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCC3=CC4=C(C(=C3)Cl)N=CN4

>  <InChI Std. ID>
InChI=1S/C20H23ClN4O/c1-26-19-5-3-2-4-18(19)25-10-8-24(9-11-25)7-6-15-12-16(21)20-17(13-15)22-14-23-20/h2-5,12-14H,6-11H2,1H3,(H,22,23)

>  <InChI Key>
DPEPWTDRWMJSAM-UHFFFAOYSA-N

