
 CHEMBL420541

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.6108    3.1522    0.4037 C   0  0  0  0  0
   -1.7254    2.3228    0.4508 C   0  0  0  0  0
   -1.5639    0.9360    0.3754 C   0  0  0  0  0
   -0.3097    0.3532    0.2537 C   0  0  0  0  0
    0.8183    1.1978    0.2069 C   0  0  0  0  0
    0.6596    2.5929    0.2818 C   0  0  0  0  0
    2.0840    0.6021    0.0851 C   0  0  0  0  0
    2.2155   -0.7866    0.0137 C   0  0  0  0  0
    1.0354   -1.5180    0.0671 C   0  0  0  0  0
   -0.2057   -0.9846    0.1847 N   0  0  0  0  0
    3.5401   -1.3986   -0.1128 C   0  0  0  0  0
    4.6866   -0.7492   -0.1957 N   0  0  0  0  0
    5.6647   -1.7036   -0.2997 C   0  0  0  0  0
    5.1316   -2.9770   -0.2883 C   0  0  0  0  0
    3.7784   -2.7541   -0.1572 N   0  0  0  0  0
    5.7469   -4.2994   -0.3618 C   0  0  0  0  0
    5.0552   -5.3931   -0.9029 C   0  0  0  0  0
    5.6502   -6.6601   -0.9652 C   0  0  0  0  0
    6.9502   -6.8467   -0.4882 C   0  0  0  0  0
    7.6497   -5.7634    0.0461 C   0  0  0  0  0
    7.0522   -4.4996    0.1069 C   0  0  0  0  0
    7.7443   -8.3793   -0.5304 Cl  0  0  0  0  0
    4.7185   -7.9478   -1.6446 Cl  0  0  0  0  0
   -0.7296    4.2313    0.4616 H   0  0  0  0  0
   -2.7213    2.7474    0.5459 H   0  0  0  0  0
   -2.4398    0.2929    0.4125 H   0  0  0  0  0
    1.5269    3.2487    0.2455 H   0  0  0  0  0
    2.9771    1.2244    0.0455 H   0  0  0  0  0
    1.0253   -2.6018    0.0151 H   0  0  0  0  0
    6.7058   -1.4197   -0.3862 H   0  0  0  0  0
    3.0771   -3.4739   -0.0823 H   0  0  0  0  0
    4.0517   -5.2687   -1.3021 H   0  0  0  0  0
    8.6624   -5.8937    0.4210 H   0  0  0  0  0
    7.6192   -3.6765    0.5381 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 33  1  0  0  0
 21 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL420541

>  <PubChem CID>
44345745

>  <Formula>
C18H11Cl2N3

>  <Molecular Weight>
340.207000

>  <IUPAC Name>
3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]quinoline

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=C(C=N2)C3=NC=C(N3)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=C(C=N2)C3=NC=C(N3)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C18H11Cl2N3/c19-14-6-5-12(8-15(14)20)17-10-22-18(23-17)13-7-11-3-1-2-4-16(11)21-9-13/h1-10H,(H,22,23)

>  <InChI Key>
BEGDZSOACPTIDW-UHFFFAOYSA-N

