
 NSC674257

 35 37  0  0  0  0  0  0  0  0999 V2000
   -0.0266    1.0969    0.6705 C   0  0  0  0  0
    1.4656    0.8764    0.6362 C   0  0  0  0  0
    1.9303   -0.2632    0.7066 O   0  0  0  0  0
    2.2891    2.0676    0.5140 C   0  0  0  0  0
    1.7905    3.2903    0.5707 N   0  0  0  0  0
    2.8438    4.1375    0.3406 C   0  0  0  0  0
    2.8557    5.5371    0.2529 C   0  0  0  0  0
    4.0639    6.1847   -0.0291 C   0  0  0  0  0
    5.2376    5.4530   -0.2145 C   0  0  0  0  0
    5.2468    4.0567   -0.1169 C   0  0  0  0  0
    4.0275    3.4283    0.1665 C   0  0  0  0  0
    3.6545    2.1108    0.3123 N   0  0  0  0  0
    4.5438    0.9599    0.2328 C   0  0  0  0  0
    4.5381    0.3427   -1.1504 C   0  0  0  0  0
    4.4040    1.0237   -2.1680 O   0  0  0  0  0
    4.8113   -1.1149   -1.3151 C   0  0  0  0  0
    4.5409   -2.0627   -0.3218 C   0  0  0  0  0
    4.8050   -3.4181   -0.5548 C   0  0  0  0  0
    5.3369   -3.8281   -1.7763 C   0  0  0  0  0
    5.6057   -2.8952   -2.7734 C   0  0  0  0  0
    5.3397   -1.5429   -2.5442 C   0  0  0  0  0
    5.6517   -5.4949   -2.0570 Cl  0  0  0  0  0
   -0.3038    1.6517    1.5706 H   0  0  0  0  0
   -0.5380    0.1297    0.6828 H   0  0  0  0  0
   -0.3446    1.6413   -0.2233 H   0  0  0  0  0
    1.9375    6.0981    0.3859 H   0  0  0  0  0
    4.0831    7.2684   -0.1156 H   0  0  0  0  0
    6.1622    5.9765   -0.4494 H   0  0  0  0  0
    6.1607    3.4967   -0.2819 H   0  0  0  0  0
    4.2600    0.2735    1.0298 H   0  0  0  0  0
    5.5621    1.2971    0.4535 H   0  0  0  0  0
    4.0875   -1.7924    0.6272 H   0  0  0  0  0
    4.5776   -4.1504    0.2166 H   0  0  0  0  0
    6.0120   -3.2095   -3.7313 H   0  0  0  0  0
    5.5433   -0.8222   -3.3356 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
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 14 15  2  0  0  0
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 21 35  1  0  0  0
M  END

>  <Chemical Name>
NSC674257

>  <PubChem CID>
384455

>  <Formula>
C17H13ClN2O2

>  <Molecular Weight>
312.753000

>  <IUPAC Name>
2-(2-acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C17H13ClN2O2/c1-11(21)17-19-14-4-2-3-5-15(14)20(17)10-16(22)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3

>  <InChI Key>
AABPSESTZLBZAJ-UHFFFAOYSA-N

