
 CHEMBL308058

 39 41  0  0  0  0  0  0  0  0999 V2000
   -0.8993    1.1347    0.8397 C   0  0  0  0  0
    0.4892    1.1597    0.7004 C   0  0  0  0  0
    1.1690   -0.0218    0.3995 C   0  0  0  0  0
    0.4859   -1.2325    0.2827 C   0  0  0  0  0
   -0.9028   -1.2512    0.4116 C   0  0  0  0  0
   -1.6090   -0.0677    0.6834 C   0  0  0  0  0
   -3.1198   -0.0818    0.7401 C   0  0  0  0  0
   -3.7286    0.1980   -0.5881 C   0  0  0  0  0
   -4.0940   -0.6301   -1.6289 C   0  0  0  0  0
   -4.6125    0.0922   -2.6719 N   0  0  0  0  0
   -4.5650    1.3457   -2.2838 C   0  0  0  0  0
   -4.0419    1.4601   -1.0285 N   0  0  0  0  0
    2.6372    0.0167    0.2059 C   0  0  0  0  0
    3.2440   -0.0799   -0.9285 N   0  0  0  0  0
    2.5118   -0.2444   -2.1834 C   0  0  0  0  0
    2.2669    1.0650   -2.8872 C   0  0  0  0  0
    3.3073    1.7158   -3.5555 C   0  0  0  0  0
    3.0416    2.9180   -4.1912 C   0  0  0  0  0
    1.8300    3.5152   -4.1966 N   0  0  0  0  0
    0.8402    2.8731   -3.5398 C   0  0  0  0  0
    1.0052    1.6646   -2.8811 C   0  0  0  0  0
    3.4098    0.1883    1.3210 N   0  0  0  0  0
   -1.4268    2.0619    1.0499 H   0  0  0  0  0
    1.0305    2.0972    0.7902 H   0  0  0  0  0
    1.0287   -2.1486    0.0649 H   0  0  0  0  0
   -1.4349   -2.1913    0.2801 H   0  0  0  0  0
   -3.4650    0.6517    1.4802 H   0  0  0  0  0
   -3.4645   -1.0560    1.1085 H   0  0  0  0  0
   -4.0069   -1.7075   -1.6844 H   0  0  0  0  0
   -4.8906    2.2003   -2.8612 H   0  0  0  0  0
   -3.9048    2.3268   -0.5246 H   0  0  0  0  0
    1.5751   -0.7991   -2.0767 H   0  0  0  0  0
    3.1196   -0.8783   -2.8417 H   0  0  0  0  0
    4.3056    1.2904   -3.5796 H   0  0  0  0  0
    3.8208    3.4470   -4.7300 H   0  0  0  0  0
   -0.1246    3.3698   -3.5590 H   0  0  0  0  0
    0.1617    1.2012   -2.3793 H   0  0  0  0  0
    2.9996    0.6678    2.1107 H   0  0  0  0  0
    4.3570    0.4749    1.0997 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 13 22  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
 22 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL308058

>  <PubChem CID>
23368260

>  <Formula>
C17H17N5

>  <Molecular Weight>
291.358000

>  <IUPAC Name>
4-(1H-imidazol-5-ylmethyl)-N'-(pyridin-4-ylmethyl)benzenecarboximidamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC=C1CC2=CN=CN2)C(=NCC3=CC=NC=C3)N

>  <Isomeric SMILES>
C1=CC(=CC=C1CC2=CN=CN2)C(=NCC3=CC=NC=C3)N

>  <InChI Std. ID>
InChI=1S/C17H17N5/c18-17(21-10-14-5-7-19-8-6-14)15-3-1-13(2-4-15)9-16-11-20-12-22-16/h1-8,11-12H,9-10H2,(H2,18,21)(H,20,22)

>  <InChI Key>
CQFRVZRPCYALAO-UHFFFAOYSA-N

