
 CHEMBL78190

 40 41  0  0  0  0  0  0  0  0999 V2000
    0.9171   -0.4912   -0.5027 C   0  0  0  0  0
    2.4218   -0.4863   -0.4844 C   0  0  0  0  0
    3.1443    0.7078   -0.3612 C   0  0  0  0  0
    4.5516    0.6474   -0.3157 C   0  0  0  0  0
    5.2776   -0.5611   -0.4317 C   0  0  0  0  0
    4.5209   -1.7413   -0.6073 C   0  0  0  0  0
    3.1177   -1.6966   -0.6040 C   0  0  0  0  0
    5.2036   -2.9245   -0.7274 O   0  0  0  0  0
    4.5589   -3.9629   -1.4576 C   0  0  0  0  0
    6.8271   -0.5663   -0.3701 C   0  0  0  0  0
    7.3285   -1.4349    0.8063 C   0  0  0  0  0
    7.4213   -1.0938   -1.6957 C   0  0  0  0  0
    7.4480    0.8395   -0.1532 C   0  0  0  0  0
    2.4452    1.9317   -0.2416 N   0  0  0  0  0
    2.8663    3.1452   -0.6513 C   0  0  0  0  0
    2.5968    4.3095   -0.1116 N   0  0  0  0  0
    3.1949    5.2412   -0.9241 C   0  0  0  0  0
    3.8127    4.6345   -1.9907 C   0  0  0  0  0
    3.5820    3.2993   -1.8115 N   0  0  0  0  0
    0.5430    0.1652   -1.2952 H   0  0  0  0  0
    0.5255   -0.1569    0.4634 H   0  0  0  0  0
    0.5194   -1.4932   -0.6954 H   0  0  0  0  0
    5.0799    1.5823   -0.1505 H   0  0  0  0  0
    2.5394   -2.6123   -0.6824 H   0  0  0  0  0
    5.3118   -4.7206   -1.6947 H   0  0  0  0  0
    4.1464   -3.5952   -2.4036 H   0  0  0  0  0
    3.7861   -4.4443   -0.8502 H   0  0  0  0  0
    6.9153   -1.0834    1.7589 H   0  0  0  0  0
    8.4220   -1.3963    0.8845 H   0  0  0  0  0
    7.0644   -2.4907    0.7037 H   0  0  0  0  0
    7.0663   -0.5034   -2.5485 H   0  0  0  0  0
    7.1679   -2.1391   -1.8914 H   0  0  0  0  0
    8.5167   -1.0366   -1.6858 H   0  0  0  0  0
    7.1897    1.5268   -0.9673 H   0  0  0  0  0
    8.5433    0.7874   -0.1170 H   0  0  0  0  0
    7.1198    1.2848    0.7933 H   0  0  0  0  0
    1.8592    1.9495    0.5894 H   0  0  0  0  0
    3.1387    6.2978   -0.7012 H   0  0  0  0  0
    4.3644    5.0193   -2.8355 H   0  0  0  0  0
    3.8569    2.5408   -2.4172 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL78190

>  <PubChem CID>
10682720

>  <Formula>
C15H21N3O

>  <Molecular Weight>
259.353000

>  <IUPAC Name>
N-(5-tert-butyl-4-methoxy-2-methylphenyl)-1H-imidazol-2-amine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=C(C(=C1)OC)C(C)(C)C)NC2=NC=CN2

>  <Isomeric SMILES>
CC1=C(C=C(C(=C1)OC)C(C)(C)C)NC2=NC=CN2

>  <InChI Std. ID>
InChI=1S/C15H21N3O/c1-10-8-13(19-5)11(15(2,3)4)9-12(10)18-14-16-6-7-17-14/h6-9H,1-5H3,(H2,16,17,18)

>  <InChI Key>
QELYRGGNEIAOKD-UHFFFAOYSA-N

