
 CHEMBL62023

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.4886    1.9400    0.7763 C   0  0  0  0  0
    2.5314    2.1810    1.8553 C   0  0  0  0  0
    3.8671    2.2214    1.3157 N   0  0  0  0  0
    4.7072    1.1225    1.1113 C   0  0  0  0  0
    4.5036   -0.2100    1.4128 C   0  0  0  0  0
    5.5324   -1.1034    1.1043 C   0  0  0  0  0
    6.7236   -0.6516    0.5081 C   0  0  0  0  0
    6.9092    0.7028    0.2066 C   0  0  0  0  0
    5.8859    1.5805    0.5146 C   0  0  0  0  0
    5.7828    2.9800    0.3335 N   0  0  0  0  0
    4.4997    3.3782    0.8217 C   0  0  0  0  0
    4.0249    4.5075    0.8033 O   0  0  0  0  0
    6.7704    3.7912   -0.2204 C   0  0  0  0  0
    7.8390    3.3828   -0.6723 O   0  0  0  0  0
    6.4646    5.1363   -0.2109 N   0  0  0  0  0
    7.3473    6.1694   -0.7479 C   0  0  0  0  0
    7.2674    6.2534   -2.2855 C   0  0  0  0  0
    6.2665    7.3037   -2.7995 C   0  0  0  0  0
    4.8399    7.0384   -2.3095 C   0  0  0  0  0
    4.7305    7.8229   -1.0028 C   0  0  0  0  0
    6.1149    8.4453   -0.8115 C   0  0  0  0  0
    7.0893    7.5228   -0.0554 C   0  0  0  0  0
    6.6496    8.5843   -2.1770 N   0  0  0  0  0
    6.1044    9.7419   -2.8829 C   0  0  0  0  0
    0.4850    1.9325    1.2124 H   0  0  0  0  0
    1.6522    0.9803    0.2757 H   0  0  0  0  0
    1.5246    2.7250    0.0135 H   0  0  0  0  0
    2.4710    1.4123    2.6327 H   0  0  0  0  0
    2.3277    3.1453    2.3344 H   0  0  0  0  0
    3.5894   -0.5638    1.8735 H   0  0  0  0  0
    5.4145   -2.1617    1.3284 H   0  0  0  0  0
    7.5131   -1.3643    0.2777 H   0  0  0  0  0
    7.8341    1.0335   -0.2537 H   0  0  0  0  0
    5.5154    5.3839    0.0542 H   0  0  0  0  0
    8.3626    5.8458   -0.4839 H   0  0  0  0  0
    7.0343    5.2744   -2.7215 H   0  0  0  0  0
    8.2633    6.5271   -2.6614 H   0  0  0  0  0
    6.3207    7.3342   -3.8939 H   0  0  0  0  0
    4.1082    7.4266   -3.0281 H   0  0  0  0  0
    4.6274    5.9737   -2.1722 H   0  0  0  0  0
    3.9709    8.6063   -1.1147 H   0  0  0  0  0
    4.4197    7.1978   -0.1616 H   0  0  0  0  0
    6.0565    9.4027   -0.2809 H   0  0  0  0  0
    8.0513    8.0483    0.0256 H   0  0  0  0  0
    6.7369    7.3700    0.9724 H   0  0  0  0  0
    6.5294    9.7999   -3.8909 H   0  0  0  0  0
    6.3923   10.6650   -2.3676 H   0  0  0  0  0
    5.0135    9.7329   -2.9763 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 22  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 23  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL62023

>  <PubChem CID>
130946

>  <Formula>
C18H24N4O2

>  <Molecular Weight>
328.416000

>  <IUPAC Name>
3-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxobenzimidazole-1-carboxamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCC(C3)N4C

>  <Isomeric SMILES>
CCN1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCC(C3)N4C

>  <InChI Std. ID>
InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)

>  <InChI Key>
MZRKHUUDDHJVHS-UHFFFAOYSA-N

