
 CHEMBL309162

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.7523    1.2958   -0.4924 C   0  0  0  0  0
    3.2198    0.9718   -0.3729 C   0  0  0  0  0
    3.6953   -0.3632   -0.2717 C   0  0  0  0  0
    5.0937   -0.6040   -0.1690 C   0  0  0  0  0
    5.9608    0.4982   -0.0916 C   0  0  0  0  0
    5.4913    1.8015   -0.1934 C   0  0  0  0  0
    4.1298    2.0377   -0.3364 C   0  0  0  0  0
    7.3094    0.3714    0.0964 O   0  0  0  0  0
    5.6411   -2.0076   -0.0973 C   0  0  0  0  0
    2.7109   -1.5231   -0.2999 C   0  0  0  0  0
    2.4801   -2.1100   -1.6763 C   0  0  0  0  0
    2.2054   -3.3831   -1.8228 N   0  0  0  0  0
    2.0132   -3.5481   -3.2930 C   0  0  0  0  0
    2.5459   -2.2695   -3.9457 C   0  0  0  0  0
    2.5179   -1.3592   -2.8276 N   0  0  0  0  0
    1.3007    0.7555   -1.3293 H   0  0  0  0  0
    1.5909    2.3631   -0.6790 H   0  0  0  0  0
    1.2323    1.0401    0.4360 H   0  0  0  0  0
    6.1872    2.6346   -0.1438 H   0  0  0  0  0
    3.7814    3.0661   -0.4036 H   0  0  0  0  0
    7.4820   -0.4743    0.5392 H   0  0  0  0  0
    5.0506   -2.7084   -0.6933 H   0  0  0  0  0
    5.6618   -2.3473    0.9426 H   0  0  0  0  0
    6.6538   -2.0641   -0.5096 H   0  0  0  0  0
    1.7359   -1.2204    0.0970 H   0  0  0  0  0
    3.0457   -2.3166    0.3790 H   0  0  0  0  0
    2.5467   -4.4324   -3.6541 H   0  0  0  0  0
    0.9440   -3.6785   -3.4955 H   0  0  0  0  0
    1.9191   -1.9313   -4.7750 H   0  0  0  0  0
    3.5735   -2.4087   -4.2968 H   0  0  0  0  0
    3.1558   -0.5693   -2.8408 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 19  1  0  0  0
  7 20  1  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL309162

>  <PubChem CID>
10774567

>  <Formula>
C12H16N2O

>  <Molecular Weight>
204.273000

>  <IUPAC Name>
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C(=C(C=C1)O)C)CC2=NCCN2

>  <Isomeric SMILES>
CC1=C(C(=C(C=C1)O)C)CC2=NCCN2

>  <InChI Std. ID>
InChI=1S/C12H16N2O/c1-8-3-4-11(15)9(2)10(8)7-12-13-5-6-14-12/h3-4,15H,5-7H2,1-2H3,(H,13,14)

>  <InChI Key>
ANMXEGLLNMUMKE-UHFFFAOYSA-N

