
 CHEMBL490937

 39 42  0  0  0  0  0  0  0  0999 V2000
   -0.6443    1.2850    0.6025 C   0  0  0  0  0
   -1.4898    0.3354   -0.3205 C   0  0  0  0  0
   -0.6282   -0.8355   -0.2905 N   0  0  0  0  0
    0.6224   -0.4799    0.1600 C   0  0  0  0  0
    0.7426    0.7142    0.6872 N   0  0  0  0  0
    1.7773   -1.3983    0.0135 C   0  0  0  0  0
    1.5966   -2.4625   -0.8179 N   0  0  0  0  0
    2.6725   -3.2752   -0.9322 C   0  0  0  0  0
    3.8608   -3.0476   -0.2523 C   0  0  0  0  0
    4.0366   -1.9901    0.5741 N   0  0  0  0  0
    2.9647   -1.1643    0.6902 C   0  0  0  0  0
   -2.8403    0.0601    0.3606 C   0  0  0  0  0
   -3.7241    1.1302    0.6198 C   0  0  0  0  0
   -4.9566    0.9094    1.2383 C   0  0  0  0  0
   -5.3198   -0.3806    1.6008 C   0  0  0  0  0
   -4.4757   -1.4546    1.3550 C   0  0  0  0  0
   -3.2419   -1.2370    0.7371 C   0  0  0  0  0
   -6.5013   -0.5919    2.1945 F   0  0  0  0  0
   -1.6045    0.7840   -1.7925 C   0  0  0  0  0
   -0.5602    1.4908   -2.4258 C   0  0  0  0  0
   -0.6499    1.8685   -3.7689 C   0  0  0  0  0
   -1.7799    1.5374   -4.5014 C   0  0  0  0  0
   -2.8166    0.8235   -3.9204 C   0  0  0  0  0
   -2.7245    0.4381   -2.5800 C   0  0  0  0  0
   -1.8663    1.9011   -5.7871 F   0  0  0  0  0
   -1.0299    1.3224    1.6294 H   0  0  0  0  0
   -0.6036    2.3140    0.2288 H   0  0  0  0  0
   -0.6449   -1.4646   -1.0874 H   0  0  0  0  0
    2.5576   -4.1268   -1.5937 H   0  0  0  0  0
    4.7098   -3.7145   -0.3562 H   0  0  0  0  0
    3.0874   -0.3141    1.3519 H   0  0  0  0  0
   -3.4566    2.1473    0.3371 H   0  0  0  0  0
   -5.6334    1.7337    1.4397 H   0  0  0  0  0
   -4.7780   -2.4551    1.6493 H   0  0  0  0  0
   -2.5931   -2.0933    0.5623 H   0  0  0  0  0
    0.3499    1.7447   -1.8844 H   0  0  0  0  0
    0.1597    2.4116   -4.2464 H   0  0  0  0  0
   -3.6885    0.5643   -4.5123 H   0  0  0  0  0
   -3.5478   -0.1387   -2.1613 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
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 15 16  1  0  0  0
 15 18  1  0  0  0
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 17 35  1  0  0  0
 19 20  2  0  0  0
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 24 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL490937

>  <PubChem CID>
9923839

>  <Formula>
C19H14F2N4

>  <Molecular Weight>
336.346000

>  <IUPAC Name>
2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrazine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(NC(=N1)C2=NC=CN=C2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1C(NC(=N1)C2=NC=CN=C2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H14F2N4/c20-15-5-1-13(2-6-15)19(14-3-7-16(21)8-4-14)12-24-18(25-19)17-11-22-9-10-23-17/h1-11H,12H2,(H,24,25)

>  <InChI Key>
MGAGGIYVXPYGLM-UHFFFAOYSA-N

