
 SCHEMBL2520315

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.5964   -2.5797    1.3305 C   0  0  0  0  0
    3.0470   -1.2609    1.9621 C   0  0  0  0  0
    4.5174   -0.9586    1.6145 C   0  0  0  0  0
    4.5516    0.4674    1.3922 N   0  0  0  0  0
    3.2491    0.9752    1.2227 C   0  0  0  0  0
    2.8823    2.1128    0.9758 O   0  0  0  0  0
    2.3588   -0.1091    1.3925 N   0  0  0  0  0
    0.9309    0.1039    1.4942 C   0  0  0  0  0
    5.7350    1.2186    1.2474 C   0  0  0  0  0
    5.6455    2.5510    1.0642 N   0  0  0  0  0
    6.7840    3.2711    0.9234 C   0  0  0  0  0
    8.0524    2.7215    0.9596 C   0  0  0  0  0
    8.1493    1.3505    1.1518 C   0  0  0  0  0
    6.9827    0.5927    1.2969 C   0  0  0  0  0
    9.2183    3.5290    0.8006 C   0  0  0  0  0
   10.2017    4.2064    0.6631 C   0  0  0  0  0
   11.3725    5.0105    0.4959 C   0  0  0  0  0
   11.2874    6.4002    0.6046 C   0  0  0  0  0
   12.4347    7.1749    0.4383 C   0  0  0  0  0
   13.6637    6.5750    0.1650 C   0  0  0  0  0
   13.7477    5.1865    0.0566 C   0  0  0  0  0
   12.6025    4.4048    0.2219 C   0  0  0  0  0
   12.3347    8.8880    0.5709 Cl  0  0  0  0  0
    2.8695   -1.3164    3.4883 C   0  0  0  0  0
    2.6649   -2.5398    0.2374 H   0  0  0  0  0
    1.5556   -2.8098    1.5829 H   0  0  0  0  0
    3.2158   -3.4138    1.6781 H   0  0  0  0  0
    4.8228   -1.4468    0.6809 H   0  0  0  0  0
    5.1982   -1.2539    2.4198 H   0  0  0  0  0
    0.3992   -0.7871    1.1535 H   0  0  0  0  0
    0.6327    0.9559    0.8767 H   0  0  0  0  0
    0.6739    0.3213    2.5344 H   0  0  0  0  0
    6.6281    4.3362    0.7754 H   0  0  0  0  0
    9.1194    0.8624    1.1864 H   0  0  0  0  0
    7.0827   -0.4769    1.4356 H   0  0  0  0  0
   10.3341    6.8771    0.8169 H   0  0  0  0  0
   14.5561    7.1819    0.0355 H   0  0  0  0  0
   14.7033    4.7140   -0.1569 H   0  0  0  0  0
   12.6756    3.3230    0.1348 H   0  0  0  0  0
    3.1775   -0.3781    3.9637 H   0  0  0  0  0
    3.4641   -2.1266    3.9248 H   0  0  0  0  0
    1.8223   -1.4905    3.7595 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
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 12 13  1  0  0  0
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 14 35  1  0  0  0
 15 16  3  0  0  0
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 17 18  2  0  0  0
 17 22  1  0  0  0
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 24 42  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2520315

>  <PubChem CID>
53494026

>  <Formula>
C19H18ClN3O

>  <Molecular Weight>
339.823000

>  <IUPAC Name>
1-[5-[2-(3-chlorophenyl)ethynyl]pyridin-2-yl]-3,4,4-trimethylimidazolidin-2-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CN(C(=O)N1C)C2=NC=C(C=C2)C#CC3=CC(=CC=C3)Cl)C

>  <Isomeric SMILES>
CC1(CN(C(=O)N1C)C2=NC=C(C=C2)C#CC3=CC(=CC=C3)Cl)C

>  <InChI Std. ID>
InChI=1S/C19H18ClN3O/c1-19(2)13-23(18(24)22(19)3)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-12H,13H2,1-3H3

>  <InChI Key>
AFAFVADNSQWWID-UHFFFAOYSA-N

