
 CHEMBL541208

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.9536   -0.1970    1.1747 C   0  0  0  0  0
    2.3963   -0.0752    0.7833 C   0  0  0  0  0
    3.3980    0.0381    1.7490 C   0  0  0  0  0
    4.7391    0.1261    1.3653 C   0  0  0  0  0
    5.1226    0.0900    0.0177 C   0  0  0  0  0
    4.1073    0.0100   -0.9402 C   0  0  0  0  0
    2.7608   -0.0773   -0.5665 C   0  0  0  0  0
    6.4654    0.1744   -0.3145 N   0  0  0  0  0
    6.8680    1.2941   -1.1965 C   0  0  0  0  0
    7.2382    2.5022   -0.3447 C   0  0  0  0  0
    8.4833    2.7795   -0.0401 N   0  0  0  0  0
    8.3778    3.9792    0.8379 C   0  0  0  0  0
    6.8990    4.1178    1.2153 C   0  0  0  0  0
    6.2692    3.3258    0.1879 N   0  0  0  0  0
    7.3410   -1.0234   -0.3559 C   0  0  0  0  0
    7.2593   -1.9407    0.8758 C   0  0  0  0  0
    6.1821   -3.0228    0.8054 C   0  0  0  0  0
    6.2463   -3.8042   -0.4992 C   0  0  0  0  0
    6.1514   -2.8783   -1.7031 C   0  0  0  0  0
    7.2327   -1.8019   -1.6797 C   0  0  0  0  0
    0.8331   -0.2128    2.2627 H   0  0  0  0  0
    0.5342   -1.1275    0.7795 H   0  0  0  0  0
    0.3831    0.6505    0.7843 H   0  0  0  0  0
    3.1490    0.0494    2.8074 H   0  0  0  0  0
    5.5022    0.2208    2.1352 H   0  0  0  0  0
    4.3573   -0.0149   -1.9969 H   0  0  0  0  0
    2.0003   -0.1591   -1.3392 H   0  0  0  0  0
    6.0769    1.5865   -1.8952 H   0  0  0  0  0
    7.7464    1.0318   -1.7982 H   0  0  0  0  0
    9.0029    3.8571    1.7288 H   0  0  0  0  0
    8.7300    4.8567    0.2828 H   0  0  0  0  0
    6.5641    5.1589    1.2016 H   0  0  0  0  0
    6.7044    3.6856    2.2011 H   0  0  0  0  0
    5.4043    2.8504    0.4311 H   0  0  0  0  0
    8.3628   -0.6158   -0.3274 H   0  0  0  0  0
    7.1552   -1.3602    1.7987 H   0  0  0  0  0
    8.2254   -2.4581    0.9645 H   0  0  0  0  0
    6.3092   -3.7127    1.6475 H   0  0  0  0  0
    5.1852   -2.5876    0.9149 H   0  0  0  0  0
    7.1835   -4.3713   -0.5438 H   0  0  0  0  0
    5.4299   -4.5341   -0.5320 H   0  0  0  0  0
    6.2494   -3.4671   -2.6227 H   0  0  0  0  0
    5.1587   -2.4198   -1.7365 H   0  0  0  0  0
    8.1961   -2.3018   -1.8514 H   0  0  0  0  0
    7.0875   -1.1272   -2.5301 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
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  3 24  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
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  7 27  1  0  0  0
  8 15  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL541208

>  <PubChem CID>
13123533

>  <Formula>
C17H25N3

>  <Molecular Weight>
271.408000

>  <IUPAC Name>
N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=C(C=C1)N(CC2=NCCN2)C3CCCCC3

>  <Isomeric SMILES>
CC1=CC=C(C=C1)N(CC2=NCCN2)C3CCCCC3

>  <InChI Std. ID>
InChI=1S/C17H25N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,19)

>  <InChI Key>
CVOPKMOKCNOSBQ-UHFFFAOYSA-N

