
 CHEMBL3792529

 49 53  0  0  0  0  0  0  0  0999 V2000
    8.7419    1.0675    0.5400 C   0  0  0  0  0
    7.4189    0.5085    0.6609 N   0  0  0  0  0
    6.2317    1.1941    0.5841 C   0  0  0  0  0
    5.2598    0.2062    0.6907 C   0  0  0  0  0
    3.9069    0.5625    0.5963 C   0  0  0  0  0
    3.5700    1.9130    0.4057 C   0  0  0  0  0
    4.5566    2.9105    0.3481 C   0  0  0  0  0
    5.9137    2.5494    0.4319 C   0  0  0  0  0
    4.1933    4.2923    0.1907 N   0  0  0  0  0
    3.1750    4.6683   -0.6819 C   0  0  0  0  0
    2.8452    5.9521   -0.8756 C   0  0  0  0  0
    3.5197    6.9993   -0.1527 C   0  0  0  0  0
    4.4903    6.6801    0.7151 C   0  0  0  0  0
    4.8942    5.2655    0.9290 C   0  0  0  0  0
    5.7851    5.0646    1.7547 O   0  0  0  0  0
    3.0617    8.2613   -0.4581 O   0  0  0  0  0
    3.6844    9.3500    0.2303 C   0  0  0  0  0
    3.1604   10.6943   -0.2207 C   0  0  0  0  0
    2.3520   10.8507   -1.3553 C   0  0  0  0  0
    1.9229   12.1217   -1.7415 C   0  0  0  0  0
    2.2959   13.2495   -1.0130 C   0  0  0  0  0
    3.1058   13.1078    0.1119 C   0  0  0  0  0
    3.5361   11.8392    0.5036 C   0  0  0  0  0
    0.9278   12.3001   -3.1346 Cl  0  0  0  0  0
    5.8303   -1.0253    0.8852 N   0  0  0  0  0
    7.1294   -0.8175    0.8724 C   0  0  0  0  0
    8.1610   -1.9266    1.0715 C   0  0  0  0  0
    7.8585   -2.9958    2.1001 C   0  0  0  0  0
    7.7883   -3.3325    0.6502 C   0  0  0  0  0
    9.2822    0.8883    1.4725 H   0  0  0  0  0
    8.6872    2.1409    0.3492 H   0  0  0  0  0
    9.2464    0.5796   -0.2984 H   0  0  0  0  0
    3.1407   -0.1999    0.6827 H   0  0  0  0  0
    2.5150    2.1730    0.3686 H   0  0  0  0  0
    6.6976    3.2949    0.3543 H   0  0  0  0  0
    2.6862    3.8844   -1.2510 H   0  0  0  0  0
    2.0742    6.2274   -1.5884 H   0  0  0  0  0
    5.0403    7.3952    1.3105 H   0  0  0  0  0
    4.7650    9.3380    0.0395 H   0  0  0  0  0
    3.4870    9.2476    1.3048 H   0  0  0  0  0
    2.0551    9.9849   -1.9425 H   0  0  0  0  0
    1.9624   14.2377   -1.3172 H   0  0  0  0  0
    3.4044   13.9839    0.6823 H   0  0  0  0  0
    4.1735   11.7471    1.3817 H   0  0  0  0  0
    9.2008   -1.6352    0.9757 H   0  0  0  0  0
    6.9278   -2.9281    2.6537 H   0  0  0  0  0
    8.6876   -3.3866    2.6778 H   0  0  0  0  0
    8.5663   -3.9583    0.2315 H   0  0  0  0  0
    6.8063   -3.5007    0.2201 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 26  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 25  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 24  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
 25 26  2  0  0  0
 26 27  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  1  0  0  0
 28 46  1  0  0  0
 28 47  1  0  0  0
 29 48  1  0  0  0
 29 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3792529

>  <PubChem CID>
89691143

>  <Formula>
C23H20ClN3O2

>  <Molecular Weight>
405.882000

>  <IUPAC Name>
4-[(3-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylbenzimidazol-5-yl)pyridin-2-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C23H20ClN3O2/c1-26-21-12-18(7-8-20(21)25-23(26)16-5-6-16)27-10-9-19(13-22(27)28)29-14-15-3-2-4-17(24)11-15/h2-4,7-13,16H,5-6,14H2,1H3

>  <InChI Key>
HFPZFKUFZLYAAA-UHFFFAOYSA-N

