
 CHEMBL18256

 36 38  0  0  0  0  0  0  0  0999 V2000
    4.1723   -0.2757    2.5328 C   0  0  0  0  0
    3.6230    0.1238    1.2596 N   0  0  0  0  0
    3.5796    1.4267    0.8359 C   0  0  0  0  0
    2.8420    1.4059   -0.3173 C   0  0  0  0  0
    2.4473    0.1296   -0.6084 N   0  0  0  0  0
    2.9845   -0.6639    0.3147 C   0  0  0  0  0
    2.8412   -2.1442    0.3240 C   0  0  0  0  0
    3.8737   -2.9563    0.8326 C   0  0  0  0  0
    3.7606   -4.3475    0.8618 C   0  0  0  0  0
    2.6261   -4.9577    0.3496 C   0  0  0  0  0
    1.6069   -4.1787   -0.1979 C   0  0  0  0  0
    1.6773   -2.7735   -0.2086 C   0  0  0  0  0
    0.6886   -2.0122   -0.8644 N   0  0  0  0  0
   -0.7036   -2.4621   -0.8468 C   0  0  0  0  0
   -1.5993   -1.4581   -1.5661 C   0  0  0  0  0
   -2.7467   -1.8252   -2.0819 N   0  0  0  0  0
   -3.2897   -0.5786   -2.6921 C   0  0  0  0  0
   -2.1637    0.4574   -2.6605 C   0  0  0  0  0
   -1.2572   -0.1285   -1.7009 N   0  0  0  0  0
    4.2781    0.6064    3.1737 H   0  0  0  0  0
    5.1593   -0.7141    2.3682 H   0  0  0  0  0
    3.4917   -0.9836    3.0149 H   0  0  0  0  0
    4.0402    2.2365    1.3842 H   0  0  0  0  0
    2.5656    2.2408   -0.9476 H   0  0  0  0  0
    4.8055   -2.5242    1.1801 H   0  0  0  0  0
    4.5723   -4.9535    1.2589 H   0  0  0  0  0
    2.5432   -6.0414    0.3402 H   0  0  0  0  0
    0.7648   -4.6969   -0.6466 H   0  0  0  0  0
    0.7986   -1.0277   -0.6068 H   0  0  0  0  0
   -1.0665   -2.5586    0.1831 H   0  0  0  0  0
   -0.8198   -3.4216   -1.3626 H   0  0  0  0  0
   -3.6215   -0.7700   -3.7182 H   0  0  0  0  0
   -4.1547   -0.2454   -2.1055 H   0  0  0  0  0
   -2.5183    1.4429   -2.3442 H   0  0  0  0  0
   -1.6809    0.5422   -3.6383 H   0  0  0  0  0
   -0.2646    0.0450   -1.8472 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL18256

>  <PubChem CID>
44271932

>  <Formula>
C14H17N5

>  <Molecular Weight>
255.325000

>  <IUPAC Name>
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylimidazol-2-yl)aniline

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C=CN=C1C2=CC=CC=C2NCC3=NCCN3

>  <Isomeric SMILES>
CN1C=CN=C1C2=CC=CC=C2NCC3=NCCN3

>  <InChI Std. ID>
InChI=1S/C14H17N5/c1-19-9-8-17-14(19)11-4-2-3-5-12(11)18-10-13-15-6-7-16-13/h2-5,8-9,18H,6-7,10H2,1H3,(H,15,16)

>  <InChI Key>
AXBPYZBFXDVVMS-UHFFFAOYSA-N

