
 CHEMBL1256610

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.6426    0.4491    0.8673 C   0  0  0  0  0
    1.0956    1.5949   -0.0241 C   0  0  0  0  0
    2.5260    2.0703    0.2679 C   0  0  0  0  0
    2.9306    3.2352   -0.6307 C   0  0  0  0  0
    2.9865    3.2443   -2.0190 C   0  0  0  0  0
    3.3758    4.4185   -2.6631 C   0  0  0  0  0
    3.7060    5.5617   -1.9221 C   0  0  0  0  0
    3.6570    5.5415   -0.5254 C   0  0  0  0  0
    3.2743    4.3746    0.1210 C   0  0  0  0  0
    3.1546    4.1154    1.5884 C   0  0  0  0  0
    2.7132    2.6444    1.7002 C   0  0  0  0  0
    1.8283    3.7940    2.1895 C   0  0  0  0  0
    3.3728    1.7858    2.7849 C   0  0  0  0  0
    3.7297    0.4577    2.7195 C   0  0  0  0  0
    4.2975    0.0450    3.8989 N   0  0  0  0  0
    4.2955    1.1048    4.6729 C   0  0  0  0  0
    3.7439    2.1831    4.0430 N   0  0  0  0  0
   -0.3588    0.1197    0.5723 H   0  0  0  0  0
    0.5947    0.7520    1.9168 H   0  0  0  0  0
    1.3168   -0.4080    0.7788 H   0  0  0  0  0
    0.3814    2.4219    0.0722 H   0  0  0  0  0
    1.0302    1.2602   -1.0671 H   0  0  0  0  0
    3.2424    1.2599    0.0881 H   0  0  0  0  0
    2.7343    2.3601   -2.5963 H   0  0  0  0  0
    3.4243    4.4492   -3.7489 H   0  0  0  0  0
    4.0051    6.4703   -2.4385 H   0  0  0  0  0
    3.9159    6.4283    0.0440 H   0  0  0  0  0
    3.9446    4.4709    2.2392 H   0  0  0  0  0
    0.9360    4.0492    1.6269 H   0  0  0  0  0
    1.6953    3.9486    3.2535 H   0  0  0  0  0
    3.6112   -0.2343    1.8962 H   0  0  0  0  0
    4.6755    1.1527    5.6845 H   0  0  0  0  0
    3.6400    3.1077    4.4343 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 28  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1256610

>  <PubChem CID>
49781223

>  <Formula>
C15H16N2

>  <Molecular Weight>
224.307000

>  <IUPAC Name>
5-[(1aR,6S,6aS)-6-ethyl-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl]-1H-imidazole

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC1C2=CC=CC=C2C3C1(C3)C4=CN=CN4

>  <Isomeric SMILES>
CC[C@H]1C2=CC=CC=C2[C@@H]3[C@]1(C3)C4=CN=CN4

>  <InChI Std. ID>
InChI=1S/C15H16N2/c1-2-12-10-5-3-4-6-11(10)13-7-15(12,13)14-8-16-9-17-14/h3-6,8-9,12-13H,2,7H2,1H3,(H,16,17)/t12-,13+,15+/m0/s1

>  <InChI Key>
AKBJKOBHDJQWMB-GZBFAFLISA-N

