
 CHEMBL97859

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.9660    4.9346    0.6849 C   0  0  0  0  0
    2.7014    4.4572   -0.7372 C   0  0  0  0  0
    3.3722    3.1107   -1.0261 C   0  0  0  0  0
    3.0828    2.6470   -2.4491 C   0  0  0  0  0
    4.7991    3.2714   -0.8999 O   0  0  0  0  0
    5.4456    2.3512   -0.1399 C   0  0  0  0  0
    4.9205    1.4241    0.4600 O   0  0  0  0  0
    6.9183    2.5919   -0.1512 C   0  0  0  0  0
    7.4135    3.8662   -0.4870 C   0  0  0  0  0
    8.7851    4.1087   -0.5053 C   0  0  0  0  0
    9.6686    3.0818   -0.1963 C   0  0  0  0  0
    9.1841    1.8152    0.1458 C   0  0  0  0  0
    7.8065    1.5461    0.2115 C   0  0  0  0  0
    7.3324    0.2404    0.4578 N   0  0  0  0  0
    8.0636   -0.6090    1.4102 C   0  0  0  0  0
    7.3381   -1.9452    1.5472 C   0  0  0  0  0
    7.7953   -2.9065    2.3123 N   0  0  0  0  0
    6.8166   -4.0169    2.1068 C   0  0  0  0  0
    5.9929   -3.6457    0.8682 C   0  0  0  0  0
    6.1934   -2.2203    0.8308 N   0  0  0  0  0
    2.4235    5.8655    0.8773 H   0  0  0  0  0
    4.0311    5.1276    0.8478 H   0  0  0  0  0
    2.6354    4.1906    1.4167 H   0  0  0  0  0
    3.0758    5.2200   -1.4302 H   0  0  0  0  0
    1.6195    4.3714   -0.8908 H   0  0  0  0  0
    2.9789    2.3645   -0.3254 H   0  0  0  0  0
    3.4209    3.3891   -3.1807 H   0  0  0  0  0
    2.0133    2.4710   -2.5984 H   0  0  0  0  0
    3.6235    1.7199   -2.6679 H   0  0  0  0  0
    6.7361    4.6790   -0.7380 H   0  0  0  0  0
    9.1632    5.0922   -0.7727 H   0  0  0  0  0
   10.7412    3.2569   -0.2326 H   0  0  0  0  0
    9.9141    1.0350    0.3410 H   0  0  0  0  0
    6.3391    0.2821    0.7343 H   0  0  0  0  0
    8.1107   -0.1390    2.3985 H   0  0  0  0  0
    9.0757   -0.8328    1.0596 H   0  0  0  0  0
    7.3398   -4.9674    1.9651 H   0  0  0  0  0
    6.1807   -4.0955    2.9958 H   0  0  0  0  0
    4.9396   -3.9202    0.9669 H   0  0  0  0  0
    6.4099   -4.1107   -0.0313 H   0  0  0  0  0
    6.1193   -1.7364   -0.0607 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
  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 30  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  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 37  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 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL97859

>  <PubChem CID>
44329788

>  <Formula>
C15H21N3O2

>  <Molecular Weight>
275.352000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C15H21N3O2/c1-3-11(2)20-15(19)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)

>  <InChI Key>
ASOZEEQINAQAHV-UHFFFAOYSA-N

