
 SCHEMBL631995

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.7177   -1.4318    0.3352 C   0  0  0  0  0
    3.7706   -0.7075   -0.5144 C   0  0  0  0  0
    3.5654   -0.9736   -1.9890 C   0  0  0  0  0
    4.7310   -1.3342   -2.8820 C   0  0  0  0  0
    3.6965   -2.3702   -2.5511 C   0  0  0  0  0
    3.7794    0.7598   -0.2811 N   0  0  0  0  0
    2.4747    1.4472   -0.1926 C   0  0  0  0  0
    2.2552    2.5519   -1.1630 C   0  0  0  0  0
    1.2216    3.4493   -1.3167 C   0  0  0  0  0
    1.4282    4.2491   -2.4101 N   0  0  0  0  0
    2.5716    3.8505   -2.9192 C   0  0  0  0  0
    3.1169    2.8311   -2.1922 N   0  0  0  0  0
    4.9451    1.3776    0.1921 C   0  0  0  0  0
    6.2237    0.8780   -0.1171 C   0  0  0  0  0
    7.3954    1.4761    0.3646 C   0  0  0  0  0
    7.3347    2.6103    1.1589 C   0  0  0  0  0
    6.0922    3.1547    1.4547 C   0  0  0  0  0
    4.9219    2.5496    0.9698 C   0  0  0  0  0
    8.9261    0.7973   -0.0393 Cl  0  0  0  0  0
    2.7318   -1.0796    1.3716 H   0  0  0  0  0
    2.9166   -2.5094    0.3448 H   0  0  0  0  0
    1.7042   -1.3142   -0.0619 H   0  0  0  0  0
    4.7190   -1.1581   -0.2017 H   0  0  0  0  0
    2.7766   -0.3624   -2.4142 H   0  0  0  0  0
    5.7166   -1.4694   -2.4520 H   0  0  0  0  0
    4.7447   -0.9318   -3.8886 H   0  0  0  0  0
    3.0076   -2.6660   -3.3349 H   0  0  0  0  0
    3.9834   -3.1788   -1.8887 H   0  0  0  0  0
    2.2886    1.7896    0.8325 H   0  0  0  0  0
    1.6607    0.7434   -0.3948 H   0  0  0  0  0
    0.3304    3.5510   -0.7103 H   0  0  0  0  0
    3.0474    4.2549   -3.8024 H   0  0  0  0  0
    3.9888    2.3484   -2.3671 H   0  0  0  0  0
    6.3419    0.0157   -0.7633 H   0  0  0  0  0
    8.2403    3.0742    1.5385 H   0  0  0  0  0
    6.0230    4.0508    2.0665 H   0  0  0  0  0
    3.9851    3.0283    1.2410 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  6  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 13  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL631995

>  <PubChem CID>
59728044

>  <Formula>
C15H18ClN3

>  <Molecular Weight>
275.780000

>  <IUPAC Name>
3-chloro-N-(1-cyclopropylethyl)-N-(1H-imidazol-5-ylmethyl)aniline

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1CC1)N(CC2=CN=CN2)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CC(C1CC1)N(CC2=CN=CN2)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C15H18ClN3/c1-11(12-5-6-12)19(9-14-8-17-10-18-14)15-4-2-3-13(16)7-15/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,17,18)

>  <InChI Key>
AVOHLFDGFOUCRQ-UHFFFAOYSA-N

