
 CHEMBL494174

 43 46  0  0  0  0  0  0  0  0999 V2000
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   -1.4862    0.0801   -0.3855 C   0  0  0  0  0
   -0.5999   -1.0773   -0.2720 N   0  0  0  0  0
    0.6932   -0.6315   -0.1268 C   0  0  0  0  0
    0.8598    0.6481    0.0969 N   0  0  0  0  0
    1.8354   -1.5622   -0.2266 C   0  0  0  0  0
    1.7004   -2.8639    0.2739 C   0  0  0  0  0
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    3.0381   -1.1425   -0.7927 C   0  0  0  0  0
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   -4.7537    0.8701    1.4781 C   0  0  0  0  0
   -3.6214    0.9946    0.6691 C   0  0  0  0  0
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   -1.2084    2.2963   -4.5844 H   0  0  0  0  0
   -0.5923    2.0490   -2.2297 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL494174

>  <PubChem CID>
44573565

>  <Formula>
C21H17F2N3

>  <Molecular Weight>
349.385000

>  <IUPAC Name>
3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]aniline

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C21H17F2N3/c22-17-8-4-15(5-9-17)21(16-6-10-18(23)11-7-16)13-25-20(26-21)14-2-1-3-19(24)12-14/h1-12H,13,24H2,(H,25,26)

>  <InChI Key>
AKLBSCADPIQMBC-UHFFFAOYSA-N

