
 CHEMBL1255723

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.7717    0.3763    0.7887 C   0  0  0  0  0
    2.2112   -0.0037    0.4706 C   0  0  0  0  0
    2.9896    1.1770   -0.0373 C   0  0  0  0  0
    4.4478    1.0784   -0.3644 C   0  0  0  0  0
    4.0089    1.9450    0.8304 C   0  0  0  0  0
    4.6080    1.3371    2.1150 C   0  0  0  0  0
    5.4133    0.1535    1.6229 C   0  0  0  0  0
    6.1613   -0.7261    2.3919 C   0  0  0  0  0
    6.8185   -1.7743    1.7469 C   0  0  0  0  0
    6.7200   -1.9307    0.3568 C   0  0  0  0  0
    5.9649   -1.0370   -0.4076 C   0  0  0  0  0
    5.3131    0.0103    0.2274 C   0  0  0  0  0
    3.9605    3.4667    0.6844 C   0  0  0  0  0
    4.1864    4.4144    1.6565 C   0  0  0  0  0
    4.0504    5.6812    1.1450 N   0  0  0  0  0
    3.7489    5.5116   -0.1213 C   0  0  0  0  0
    3.6757    4.1874   -0.4455 N   0  0  0  0  0
    0.2295   -0.4867    1.1855 H   0  0  0  0  0
    0.2518    0.7190   -0.1111 H   0  0  0  0  0
    0.7319    1.1811    1.5279 H   0  0  0  0  0
    2.2085   -0.7844   -0.2999 H   0  0  0  0  0
    2.6586   -0.4443    1.3660 H   0  0  0  0  0
    2.3930    1.7299   -0.7574 H   0  0  0  0  0
    4.8058    1.5796   -1.2568 H   0  0  0  0  0
    3.8191    1.0259    2.8064 H   0  0  0  0  0
    5.2869    2.0350    2.6140 H   0  0  0  0  0
    6.2342   -0.6071    3.4682 H   0  0  0  0  0
    7.4112   -2.4785    2.3265 H   0  0  0  0  0
    7.2352   -2.7550   -0.1298 H   0  0  0  0  0
    5.8881   -1.1638   -1.4827 H   0  0  0  0  0
    4.4311    4.2661    2.7002 H   0  0  0  0  0
    3.5744    6.2983   -0.8426 H   0  0  0  0  0
    3.4668    3.8120   -1.3594 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  4  1  0  0  0
  3  5  1  0  0  0
  3 23  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 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>
CHEMBL1255723

>  <PubChem CID>
52944548

>  <Formula>
C15H16N2

>  <Molecular Weight>
224.307000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC1C2C1(CC3=CC=CC=C23)C4=CN=CN4

>  <Isomeric SMILES>
CC[C@H]1[C@H]2[C@@]1(CC3=CC=CC=C23)C4=CN=CN4

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

>  <InChI Key>
ARHWJJBPLJIHQP-AEGPPILISA-N

