
 pimobendan

 43 46  0  0  0  0  0  0  0  0999 V2000
    5.5378   -1.4993   -1.8935 C   0  0  0  0  0
    4.0408   -1.4020   -2.1930 C   0  0  0  0  0
    3.7149   -0.1954   -3.0616 C   0  0  0  0  0
    3.7787    1.0821   -2.2756 C   0  0  0  0  0
    4.0665    2.1607   -2.7896 O   0  0  0  0  0
    3.4103    0.9806   -0.9601 N   0  0  0  0  0
    3.0221   -0.1558   -0.3224 N   0  0  0  0  0
    3.2655   -1.3059   -0.8842 C   0  0  0  0  0
    2.8138   -2.5601   -0.1801 C   0  0  0  0  0
    2.0838   -2.4110    1.0160 C   0  0  0  0  0
    1.6661   -3.5750    1.6668 C   0  0  0  0  0
    1.9293   -4.8497    1.1943 C   0  0  0  0  0
    2.6554   -4.9971    0.0058 C   0  0  0  0  0
    3.0965   -3.8449   -0.6695 C   0  0  0  0  0
    1.4015   -5.7981    2.0317 N   0  0  0  0  0
    0.8192   -5.1402    3.0218 C   0  0  0  0  0
    0.9625   -3.7841    2.8236 N   0  0  0  0  0
    0.1280   -5.7431    4.1688 C   0  0  0  0  0
    0.0611   -7.1406    4.2721 C   0  0  0  0  0
   -0.5813   -7.7626    5.3513 C   0  0  0  0  0
   -1.1710   -6.9925    6.3504 C   0  0  0  0  0
   -1.1130   -5.6015    6.2566 C   0  0  0  0  0
   -0.4716   -4.9796    5.1789 C   0  0  0  0  0
   -1.8248   -7.4634    7.4545 O   0  0  0  0  0
   -1.9053   -8.8757    7.5991 C   0  0  0  0  0
    6.1153   -1.5782   -2.8203 H   0  0  0  0  0
    5.7599   -2.3810   -1.2833 H   0  0  0  0  0
    5.9008   -0.6256   -1.3410 H   0  0  0  0  0
    3.7357   -2.2870   -2.7578 H   0  0  0  0  0
    4.4055   -0.1300   -3.9094 H   0  0  0  0  0
    2.6962   -0.2790   -3.4588 H   0  0  0  0  0
    3.3399    1.8454   -0.4330 H   0  0  0  0  0
    1.8531   -1.4320    1.4247 H   0  0  0  0  0
    2.8728   -5.9891   -0.3759 H   0  0  0  0  0
    3.6691   -4.0002   -1.5779 H   0  0  0  0  0
    0.6148   -3.0599    3.4319 H   0  0  0  0  0
    0.5177   -7.7608    3.5013 H   0  0  0  0  0
   -0.5986   -8.8470    5.3752 H   0  0  0  0  0
   -1.5722   -4.9936    7.0330 H   0  0  0  0  0
   -0.4581   -3.8949    5.1600 H   0  0  0  0  0
   -2.4488   -9.0858    8.5254 H   0  0  0  0  0
   -0.9091   -9.3211    7.6894 H   0  0  0  0  0
   -2.4673   -9.3252    6.7739 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  1  0  0  0
  2  8  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
 24 25  1  0  0  0
 25 41  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
M  END

>  <Chemical Name>
pimobendan

>  <PubChem CID>
4823

>  <Formula>
C19H18N4O2

>  <Molecular Weight>
334.379000

>  <IUPAC Name>
3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)

>  <InChI Key>
GLBJJMFZWDBELO-UHFFFAOYSA-N

