
 CHEMBL12494

 38 39  0  0  0  0  0  0  0  0999 V2000
    2.3648    1.8279   -3.8860 C   0  0  0  0  0
    3.2045    2.4960   -3.0003 C   0  0  0  0  0
    3.5445    1.9069   -1.7801 C   0  0  0  0  0
    3.0549    0.6376   -1.4317 C   0  0  0  0  0
    2.1844   -0.0068   -2.3208 C   0  0  0  0  0
    1.8521    0.5784   -3.5456 C   0  0  0  0  0
    3.4229    0.0463   -0.0887 C   0  0  0  0  0
    3.6127   -1.4756   -0.0393 C   0  0  0  0  0
    4.7822   -1.9497   -0.8977 C   0  0  0  0  0
    4.9402   -3.4534   -0.8253 C   0  0  0  0  0
    5.5893   -4.0056    0.0564 O   0  0  0  0  0
    4.2874   -4.1345   -1.8280 N   0  0  0  0  0
    4.3557   -5.5800   -1.9514 C   0  0  0  0  0
    3.3045   -6.3184   -1.1149 C   0  0  0  0  0
    1.9148   -5.9745   -1.5325 C   0  0  0  0  0
    1.0470   -4.9966   -1.0934 C   0  0  0  0  0
   -0.1263   -5.0327   -1.7998 N   0  0  0  0  0
    0.0019   -6.0372   -2.6338 C   0  0  0  0  0
    1.2178   -6.6464   -2.5069 N   0  0  0  0  0
    2.0994    2.2842   -4.8361 H   0  0  0  0  0
    3.5913    3.4781   -3.2547 H   0  0  0  0  0
    4.1951    2.4516   -1.0980 H   0  0  0  0  0
    1.7444   -0.9704   -2.0753 H   0  0  0  0  0
    1.1834    0.0607   -4.2291 H   0  0  0  0  0
    2.6366    0.3299    0.6244 H   0  0  0  0  0
    4.3503    0.5146    0.2694 H   0  0  0  0  0
    2.6921   -1.9952   -0.3257 H   0  0  0  0  0
    3.8020   -1.7636    1.0041 H   0  0  0  0  0
    5.7208   -1.4955   -0.5620 H   0  0  0  0  0
    4.6496   -1.6570   -1.9456 H   0  0  0  0  0
    3.6140   -3.6391   -2.4000 H   0  0  0  0  0
    5.3554   -5.9107   -1.6496 H   0  0  0  0  0
    4.2334   -5.8103   -3.0152 H   0  0  0  0  0
    3.4345   -6.0813   -0.0534 H   0  0  0  0  0
    3.4603   -7.3978   -1.2214 H   0  0  0  0  0
    1.2135   -4.2632   -0.3147 H   0  0  0  0  0
   -0.7435   -6.3697   -3.3452 H   0  0  0  0  0
    1.5371   -7.4433   -3.0380 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL12494

>  <PubChem CID>
10106513

>  <Formula>
C15H19N3O

>  <Molecular Weight>
257.337000

>  <IUPAC Name>
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutanamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)CCCC(=O)NCCC2=CN=CN2

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCCC(=O)NCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C15H19N3O/c19-15(17-10-9-14-11-16-12-18-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,16,18)(H,17,19)

>  <InChI Key>
AGKVFFJHDCPNSM-UHFFFAOYSA-N

