
 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile

 38 41  0  0  0  0  0  0  0  0999 V2000
    4.1655   -1.9172    2.5049 C   0  0  0  0  0
    3.8500   -1.0019    1.3581 C   0  0  0  0  0
    4.5646    0.1905    1.1831 C   0  0  0  0  0
    4.2481    1.0640    0.1323 C   0  0  0  0  0
    3.2349    0.7217   -0.7691 C   0  0  0  0  0
    2.5023   -0.4515   -0.5884 C   0  0  0  0  0
    2.8027   -1.3025    0.4787 C   0  0  0  0  0
    2.9523    1.5347   -1.8303 O   0  0  0  0  0
    5.0416    2.3110    0.0222 C   0  0  0  0  0
    6.2686    2.2381    0.0853 O   0  0  0  0  0
    4.3615    3.6487   -0.0591 C   0  0  0  0  0
    3.0510    3.8157    0.2097 C   0  0  0  0  0
    2.4840    5.0840    0.1392 N   0  0  0  0  0
    1.1740    5.4698    0.3503 C   0  0  0  0  0
    0.0118    4.7673    0.7003 C   0  0  0  0  0
   -1.1686    5.5092    0.8300 C   0  0  0  0  0
   -1.1848    6.8884    0.6173 C   0  0  0  0  0
   -0.0145    7.5711    0.2677 C   0  0  0  0  0
    1.1784    6.8453    0.1354 C   0  0  0  0  0
    2.4319    7.2943   -0.1859 N   0  0  0  0  0
    3.2073    6.2288   -0.1698 C   0  0  0  0  0
    4.6188    6.0881   -0.3732 C   0  0  0  0  0
    5.1646    4.8532   -0.3308 C   0  0  0  0  0
    5.3855    7.2635   -0.4599 C   0  0  0  0  0
    6.0131    8.2257   -0.5309 N   0  0  0  0  0
    5.2185   -1.8344    2.7942 H   0  0  0  0  0
    3.9865   -2.9617    2.2286 H   0  0  0  0  0
    3.5413   -1.6659    3.3678 H   0  0  0  0  0
    5.3748    0.4449    1.8656 H   0  0  0  0  0
    1.6948   -0.7220   -1.2630 H   0  0  0  0  0
    2.2213   -2.2133    0.6134 H   0  0  0  0  0
    2.3435    1.0740   -2.4338 H   0  0  0  0  0
    2.3778    3.0136    0.4790 H   0  0  0  0  0
    0.0153    3.6958    0.8687 H   0  0  0  0  0
   -2.0918    5.0015    1.1033 H   0  0  0  0  0
   -2.1145    7.4425    0.7252 H   0  0  0  0  0
   -0.0185    8.6435    0.1035 H   0  0  0  0  0
    6.2402    4.7146   -0.4320 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 23  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 21  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 38  1  0  0  0
 24 25  3  0  0  0
M  END

>  <Chemical Name>
2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile

>  <PubChem CID>
1484504

>  <Formula>
C20H13N3O2

>  <Molecular Weight>
327.343000

>  <IUPAC Name>
2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C=C1)O)C(=O)C2=CN3C4=CC=CC=C4N=C3C(=C2)C#N

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)O)C(=O)C2=CN3C4=CC=CC=C4N=C3C(=C2)C#N

>  <InChI Std. ID>
InChI=1S/C20H13N3O2/c1-12-6-7-18(24)15(8-12)19(25)14-9-13(10-21)20-22-16-4-2-3-5-17(16)23(20)11-14/h2-9,11,24H,1H3

>  <InChI Key>
DMQIXLDNRATNBD-UHFFFAOYSA-N

