
 CHEMBL3793953

 49 53  0  0  0  0  0  0  0  0999 V2000
    4.6049    0.2475    6.4561 C   0  0  0  0  0
    5.2686   -0.1566    5.2418 N   0  0  0  0  0
    5.3196    0.5488    4.0630 C   0  0  0  0  0
    5.9970   -0.2988    3.1939 C   0  0  0  0  0
    6.2007    0.0944    1.8667 C   0  0  0  0  0
    5.6992    1.3351    1.4462 C   0  0  0  0  0
    5.0276    2.1999    2.3282 C   0  0  0  0  0
    4.8424    1.8099    3.6682 C   0  0  0  0  0
    4.5100    3.4561    1.8467 N   0  0  0  0  0
    3.9611    3.5422    0.5694 C   0  0  0  0  0
    3.4719    4.6853    0.0769 C   0  0  0  0  0
    3.5260    5.8975    0.8499 C   0  0  0  0  0
    4.0406    5.8674    2.0885 C   0  0  0  0  0
    4.5598    4.5970    2.6739 C   0  0  0  0  0
    5.0232    4.6614    3.8119 O   0  0  0  0  0
    3.0171    6.9787    0.1777 O   0  0  0  0  0
    3.0748    8.2518    0.8245 C   0  0  0  0  0
    2.4480    9.3396   -0.0213 C   0  0  0  0  0
    1.8367    9.0821   -1.2563 C   0  0  0  0  0
    1.2589   10.1175   -1.9947 C   0  0  0  0  0
    1.2836   11.4226   -1.5076 C   0  0  0  0  0
    1.8868   11.6945   -0.2824 C   0  0  0  0  0
    2.4653   10.6607    0.4564 C   0  0  0  0  0
    6.3754   -1.4551    3.8219 N   0  0  0  0  0
    5.9351   -1.3451    5.0577 C   0  0  0  0  0
    6.1546   -2.4233    6.1155 C   0  0  0  0  0
    6.1537   -3.8695    5.6635 C   0  0  0  0  0
    7.4396   -3.2244    6.0500 C   0  0  0  0  0
    3.9329   -0.5563    6.7700 H   0  0  0  0  0
    4.0182    1.1521    6.2856 H   0  0  0  0  0
    5.3638    0.4343    7.2194 H   0  0  0  0  0
    6.7386   -0.5544    1.1853 H   0  0  0  0  0
    5.8934    1.6307    0.4181 H   0  0  0  0  0
    4.3078    2.4394    4.3697 H   0  0  0  0  0
    3.8897    2.6291   -0.0132 H   0  0  0  0  0
    3.0208    4.7189   -0.9087 H   0  0  0  0  0
    4.1245    6.7309    2.7329 H   0  0  0  0  0
    4.1265    8.5158    1.0005 H   0  0  0  0  0
    2.5312    8.2065    1.7745 H   0  0  0  0  0
    1.8022    8.0713   -1.6577 H   0  0  0  0  0
    0.7880    9.9035   -2.9507 H   0  0  0  0  0
    0.8321   12.2264   -2.0828 H   0  0  0  0  0
    1.9063   12.7119    0.0995 H   0  0  0  0  0
    2.9302   10.8920    1.4122 H   0  0  0  0  0
    5.7554   -2.2164    7.1011 H   0  0  0  0  0
    5.9904   -4.0815    4.6119 H   0  0  0  0  0
    5.7309   -4.6086    6.3327 H   0  0  0  0  0
    7.9002   -3.5193    6.9850 H   0  0  0  0  0
    8.1494   -2.9983    5.2610 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 25  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26 45  1  0  0  0
 27 28  1  0  0  0
 27 46  1  0  0  0
 27 47  1  0  0  0
 28 48  1  0  0  0
 28 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3793953

>  <PubChem CID>
89691032

>  <Formula>
C23H21N3O2

>  <Molecular Weight>
371.440000

>  <IUPAC Name>
1-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-4-phenylmethoxypyridin-2-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)OCC4=CC=CC=C4)N=C1C5CC5

>  <Isomeric SMILES>
CN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)OCC4=CC=CC=C4)N=C1C5CC5

>  <InChI Std. ID>
InChI=1S/C23H21N3O2/c1-25-21-13-18(9-10-20(21)24-23(25)17-7-8-17)26-12-11-19(14-22(26)27)28-15-16-5-3-2-4-6-16/h2-6,9-14,17H,7-8,15H2,1H3

>  <InChI Key>
GMKUXLCFJXBODY-UHFFFAOYSA-N

