
 CHEMBL603443

 48 51  0  0  0  0  0  0  0  0999 V2000
    3.1337   -0.5699    2.1172 C   0  0  0  0  0
    2.4766   -0.5893    0.8335 N   0  0  0  0  0
    1.8807    0.4982    0.2297 C   0  0  0  0  0
    1.7193    1.8405    0.5999 C   0  0  0  0  0
    1.0464    2.6773   -0.3006 C   0  0  0  0  0
    0.5607    2.1918   -1.5150 C   0  0  0  0  0
    0.7315    0.8480   -1.8667 C   0  0  0  0  0
    1.3994   -0.0052   -0.9746 C   0  0  0  0  0
    1.6803   -1.3409   -1.0994 N   0  0  0  0  0
    2.3523   -1.6746   -0.0091 C   0  0  0  0  0
    2.9145   -3.0454    0.2555 C   0  0  0  0  0
    4.2984   -3.2051   -0.2369 N   0  0  0  0  0
    4.8312   -4.5511    0.0943 C   0  0  0  0  0
    4.2150   -5.7437   -0.6814 C   0  0  0  0  0
    4.2056   -5.5166   -2.1445 N   0  0  0  0  0
    3.7205   -4.1746   -2.5403 C   0  0  0  0  0
    4.3838   -3.0471   -1.7128 C   0  0  0  0  0
    5.1757   -6.1658   -2.9050 C   0  0  0  0  0
    6.1749   -5.4327   -3.5793 C   0  0  0  0  0
    7.1602   -6.0406   -4.3618 C   0  0  0  0  0
    7.1796   -7.4175   -4.5002 C   0  0  0  0  0
    6.2057   -8.1728   -3.8577 C   0  0  0  0  0
    5.1942   -7.5690   -3.0676 C   0  0  0  0  0
    4.1685   -8.5198   -2.4896 C   0  0  0  0  0
    3.6361   -9.3416   -3.4450 F   0  0  0  0  0
    4.7363   -9.3668   -1.5738 F   0  0  0  0  0
    3.0961   -7.9738   -1.8521 F   0  0  0  0  0
    2.9286   -1.5015    2.6491 H   0  0  0  0  0
    2.7440    0.2566    2.7183 H   0  0  0  0  0
    4.2047   -0.4439    1.9542 H   0  0  0  0  0
    2.0965    2.2286    1.5385 H   0  0  0  0  0
    0.9003    3.7247   -0.0472 H   0  0  0  0  0
    0.0447    2.8615   -2.1984 H   0  0  0  0  0
    0.3604    0.4621   -2.8092 H   0  0  0  0  0
    2.2337   -3.7823   -0.1877 H   0  0  0  0  0
    2.8945   -3.2391    1.3346 H   0  0  0  0  0
    4.7341   -4.7322    1.1717 H   0  0  0  0  0
    5.9123   -4.5368   -0.1026 H   0  0  0  0  0
    4.7618   -6.6561   -0.4129 H   0  0  0  0  0
    3.1800   -5.8940   -0.3539 H   0  0  0  0  0
    3.8656   -3.9949   -3.6129 H   0  0  0  0  0
    2.6350   -4.1530   -2.3876 H   0  0  0  0  0
    5.4506   -2.9958   -1.9632 H   0  0  0  0  0
    3.9880   -2.0774   -2.0326 H   0  0  0  0  0
    6.2153   -4.3510   -3.5000 H   0  0  0  0  0
    7.9086   -5.4295   -4.8613 H   0  0  0  0  0
    7.9380   -7.9000   -5.1098 H   0  0  0  0  0
    6.2150   -9.2556   -3.9855 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL603443

>  <PubChem CID>
46225320

>  <Formula>
C20H21F3N4

>  <Molecular Weight>
374.411000

>  <IUPAC Name>
1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC=C4C(F)(F)F

>  <Isomeric SMILES>
CN1C2=CC=CC=C2N=C1CN3CCN(CC3)C4=CC=CC=C4C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H21F3N4/c1-25-18-9-5-3-7-16(18)24-19(25)14-26-10-12-27(13-11-26)17-8-4-2-6-15(17)20(21,22)23/h2-9H,10-14H2,1H3

>  <InChI Key>
AZMYNGIYMRISBA-UHFFFAOYSA-N

