
 CHEMBL203263

 39 40  0  0  0  0  0  0  0  0999 V2000
   -0.8785   -0.2200    1.2543 C   0  0  0  0  0
    0.4993   -0.1372    1.4670 C   0  0  0  0  0
    1.3605   -0.0192    0.3787 C   0  0  0  0  0
    0.8562    0.0199   -0.9197 C   0  0  0  0  0
   -0.5220   -0.0649   -1.1325 C   0  0  0  0  0
   -1.4019   -0.1959   -0.0475 C   0  0  0  0  0
   -2.8947   -0.2638   -0.2698 C   0  0  0  0  0
   -3.4917    1.0625   -0.1359 N   0  0  0  0  0
   -4.9348    1.0217   -0.3591 C   0  0  0  0  0
   -5.5038    2.4404   -0.2842 C   0  0  0  0  0
   -7.0240    2.4421   -0.4588 C   0  0  0  0  0
   -7.5828    3.8659   -0.4241 C   0  0  0  0  0
   -9.1049    3.8731   -0.5755 C   0  0  0  0  0
   -9.6434    5.2589   -0.5755 C   0  0  0  0  0
   -9.8934    6.1515   -1.5951 C   0  0  0  0  0
  -10.3947    7.3289   -1.1044 N   0  0  0  0  0
  -10.4528    7.1654    0.1964 C   0  0  0  0  0
  -10.0099    5.9277    0.5665 N   0  0  0  0  0
    3.0583    0.0854    0.6392 Cl  0  0  0  0  0
   -1.5487   -0.2940    2.1085 H   0  0  0  0  0
    0.8904   -0.1587    2.4804 H   0  0  0  0  0
    1.5280    0.1200   -1.7678 H   0  0  0  0  0
   -0.9057   -0.0256   -2.1494 H   0  0  0  0  0
   -3.3304   -0.9582    0.4595 H   0  0  0  0  0
   -3.0943   -0.6824   -1.2644 H   0  0  0  0  0
   -3.0521    1.6926   -0.8059 H   0  0  0  0  0
   -5.4118    0.3953    0.4039 H   0  0  0  0  0
   -5.1594    0.5917   -1.3427 H   0  0  0  0  0
   -5.0460    3.0636   -1.0631 H   0  0  0  0  0
   -5.2490    2.8932    0.6825 H   0  0  0  0  0
   -7.4850    1.8456    0.3377 H   0  0  0  0  0
   -7.2865    1.9680   -1.4123 H   0  0  0  0  0
   -7.1262    4.4571   -1.2284 H   0  0  0  0  0
   -7.3014    4.3489    0.5205 H   0  0  0  0  0
   -9.5637    3.2968    0.2375 H   0  0  0  0  0
   -9.3873    3.3764   -1.5119 H   0  0  0  0  0
   -9.7372    6.0093   -2.6572 H   0  0  0  0  0
  -10.8014    7.8971    0.9129 H   0  0  0  0  0
   -9.9607    5.5764    1.5122 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL203263

>  <PubChem CID>
10446240

>  <Formula>
C15H20ClN3

>  <Molecular Weight>
277.796000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=CC=C1CNCCCCCC2=CN=CN2)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1CNCCCCCC2=CN=CN2)Cl

>  <InChI Std. ID>
InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)

>  <InChI Key>
BJZMQYYHQDWJRH-UHFFFAOYSA-N

