
 CHEMBL432192

 42 43  0  0  0  0  0  0  0  0999 V2000
    3.1492    0.7008    0.8342 C   0  0  0  0  0
    4.4556    0.8845    0.0751 C   0  0  0  0  0
    5.5544    1.5776    0.8970 C   0  0  0  0  0
    5.8981    0.8292    2.1826 C   0  0  0  0  0
    6.7578    1.7256    0.0893 N   0  0  0  0  0
    6.9892    2.8260   -0.7069 C   0  0  0  0  0
    6.2452    3.7996   -0.7560 O   0  0  0  0  0
    8.2655    2.8089   -1.4846 C   0  0  0  0  0
    8.9025    4.0523   -1.6443 C   0  0  0  0  0
   10.1418    4.1374   -2.2727 C   0  0  0  0  0
   10.7624    2.9777   -2.7191 C   0  0  0  0  0
   10.1245    1.7398   -2.5804 C   0  0  0  0  0
    8.8353    1.6325   -2.0283 C   0  0  0  0  0
    8.1768    0.3813   -1.9228 N   0  0  0  0  0
    8.5284   -0.6383   -2.9243 C   0  0  0  0  0
    7.3641   -1.6135   -3.0496 C   0  0  0  0  0
    6.1747   -1.1900   -3.4038 N   0  0  0  0  0
    5.3394   -2.4234   -3.4144 C   0  0  0  0  0
    6.1483   -3.4998   -2.6838 C   0  0  0  0  0
    7.4837   -2.9522   -2.7622 N   0  0  0  0  0
    2.3684    0.3380    0.1580 H   0  0  0  0  0
    2.8086    1.6451    1.2706 H   0  0  0  0  0
    3.2551   -0.0349    1.6373 H   0  0  0  0  0
    4.2533    1.4785   -0.8253 H   0  0  0  0  0
    4.8081   -0.0934   -0.2765 H   0  0  0  0  0
    5.2057    2.5815    1.1689 H   0  0  0  0  0
    6.1878   -0.2063    1.9743 H   0  0  0  0  0
    6.7380    1.3105    2.6963 H   0  0  0  0  0
    5.0525    0.8186    2.8769 H   0  0  0  0  0
    7.4086    0.9475    0.0127 H   0  0  0  0  0
    8.4335    4.9566   -1.2606 H   0  0  0  0  0
   10.6276    5.1022   -2.3916 H   0  0  0  0  0
   11.7447    3.0314   -3.1822 H   0  0  0  0  0
   10.6560    0.8614   -2.9349 H   0  0  0  0  0
    7.1612    0.5429   -1.9903 H   0  0  0  0  0
    9.4294   -1.1806   -2.6199 H   0  0  0  0  0
    8.6764   -0.1981   -3.9176 H   0  0  0  0  0
    4.3800   -2.2415   -2.9208 H   0  0  0  0  0
    5.1483   -2.7100   -4.4548 H   0  0  0  0  0
    6.0711   -4.4774   -3.1667 H   0  0  0  0  0
    5.8331   -3.5817   -1.6386 H   0  0  0  0  0
    8.1387   -3.2117   -2.0329 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL432192

>  <PubChem CID>
22493411

>  <Formula>
C15H22N4O

>  <Molecular Weight>
274.368000

>  <IUPAC Name>
N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(C)NC(=O)C1=CC=CC=C1NCC2=NCCN2

>  <Isomeric SMILES>
CCC(C)NC(=O)C1=CC=CC=C1NCC2=NCCN2

>  <InChI Std. ID>
InChI=1S/C15H22N4O/c1-3-11(2)19-15(20)12-6-4-5-7-13(12)18-10-14-16-8-9-17-14/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,17)(H,19,20)

>  <InChI Key>
BBAKYBVOEXDMMA-UHFFFAOYSA-N

