
 CID 57515911

 27 26  0  0  0  0  0  0  0  0999 V2000
    0.1824   -0.9288    4.6291 H   0  0  0  0  0
    1.1702   -1.9727    1.2815 C   0  0  0  0  0
    1.4190   -2.1420   -0.2470 C   0  0  0  0  0
    1.3722   -0.7885   -0.7653 N   0  0  0  0  0
    1.1493    0.0477    0.1649 C   0  0  0  0  0
    1.0477   -0.5496    1.4160 N   0  0  0  0  0
    1.1005    1.4617   -0.0193 N   0  0  0  0  0
    1.0350    2.1508   -1.2790 C   0  0  0  0  0
    0.2934    1.6636   -2.3991 C   0  0  0  0  0
    0.2531    2.4079   -3.5847 C   0  0  0  0  0
    0.9207    3.6297   -3.6908 C   0  0  0  0  0
    1.6322    4.1230   -2.5968 C   0  0  0  0  0
    1.6873    3.4031   -1.4008 C   0  0  0  0  0
    2.6097    4.0928   -0.0667 Cl  0  0  0  0  0
    0.8577    4.3745   -4.8953 N   0  0  0  0  0
   -0.6992    0.2083   -2.3657 Cl  0  0  0  0  0
    3.5943    1.2403    3.4410 Cl  0  0  0  0  0
    0.2210   -2.4577    1.5991 H   0  0  0  0  0
    2.0295   -2.3443    1.8790 H   0  0  0  0  0
    0.6274   -2.7606   -0.7194 H   0  0  0  0  0
    2.4231   -2.5755   -0.4385 H   0  0  0  0  0
    0.8813   -0.0482    2.3004 H   0  0  0  0  0
    1.2330    2.0258    0.8328 H   0  0  0  0  0
   -0.3213    2.0398   -4.4268 H   0  0  0  0  0
    2.1432    5.0755   -2.6729 H   0  0  0  0  0
    1.3360    5.2833   -4.9744 H   0  0  0  0  0
    0.3240    4.0205   -5.7024 H   0  0  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
 10 11  2  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 25  1  0  0  0
 13 14  1  0  0  0
 15 26  1  0  0  0
 15 27  1  0  0  0
M  CHG  2   1   1  17  -1
M  END

>  <Chemical Name>
CID 57515911

>  <PubChem CID>
57515911

>  <Formula>
C9H11Cl3N4

>  <Molecular Weight>
281.565000

>  <IUPAC Name>
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;hydron;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
[H+].C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl.[Cl-]

>  <Isomeric SMILES>
[H+].C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl.[Cl-]

>  <InChI Std. ID>
InChI=1S/C9H10Cl2N4.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2,12H2,(H2,13,14,15);1H

>  <InChI Key>
OTQYGBJVDRBCHC-UHFFFAOYSA-N

