
 CHEMBL75257

 43 44  0  0  0  0  0  0  0  0999 V2000
    1.0414    0.1800    0.8407 C   0  0  0  0  0
    2.4790    0.0764    0.3992 C   0  0  0  0  0
    3.2623    1.2402    0.3316 C   0  0  0  0  0
    4.6131    1.2319   -0.0739 C   0  0  0  0  0
    5.1325   -0.0153   -0.4895 C   0  0  0  0  0
    4.3355   -1.1910   -0.5168 C   0  0  0  0  0
    3.0334   -1.1582    0.0260 C   0  0  0  0  0
    2.2126   -2.3121    0.0889 N   0  0  0  0  0
    2.5175   -3.4044    0.8224 C   0  0  0  0  0
    2.1676   -4.6470    0.5885 N   0  0  0  0  0
    2.7087   -5.3828    1.6128 C   0  0  0  0  0
    3.3942   -4.5746    2.4876 C   0  0  0  0  0
    3.2513   -3.3154    1.9782 N   0  0  0  0  0
    4.8708   -2.4633   -1.1308 C   0  0  0  0  0
    6.4154   -0.0718   -0.9805 O   0  0  0  0  0
    7.2883   -0.8227   -0.1284 C   0  0  0  0  0
    5.3892    2.5736   -0.1309 C   0  0  0  0  0
    4.8846    3.5928    0.9273 C   0  0  0  0  0
    6.9096    2.4593    0.1216 C   0  0  0  0  0
    5.1726    3.1877   -1.5288 C   0  0  0  0  0
    0.8369   -0.5189    1.6572 H   0  0  0  0  0
    0.3757   -0.0347   -0.0007 H   0  0  0  0  0
    0.8048    1.1840    1.2071 H   0  0  0  0  0
    2.7770    2.1752    0.5969 H   0  0  0  0  0
    1.7934   -2.5244   -0.8129 H   0  0  0  0  0
    2.5741   -6.4560    1.6651 H   0  0  0  0  0
    3.9430   -4.7755    3.3958 H   0  0  0  0  0
    3.6149   -2.4529    2.3579 H   0  0  0  0  0
    4.0736   -3.0542   -1.5937 H   0  0  0  0  0
    5.3711   -3.0713   -0.3709 H   0  0  0  0  0
    5.5752   -2.2488   -1.9407 H   0  0  0  0  0
    8.2061   -0.2457    0.0143 H   0  0  0  0  0
    7.5603   -1.7576   -0.6254 H   0  0  0  0  0
    6.8620   -1.0356    0.8589 H   0  0  0  0  0
    3.8682    3.9445    0.7220 H   0  0  0  0  0
    5.5107    4.4937    0.9453 H   0  0  0  0  0
    4.9020    3.1586    1.9340 H   0  0  0  0  0
    7.4410    2.0116   -0.7228 H   0  0  0  0  0
    7.1203    1.8784    1.0258 H   0  0  0  0  0
    7.3675    3.4473    0.2541 H   0  0  0  0  0
    5.5481    2.5270   -2.3186 H   0  0  0  0  0
    5.6920    4.1484   -1.6244 H   0  0  0  0  0
    4.1095    3.3656   -1.7284 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
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 20  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL75257

>  <PubChem CID>
9795515

>  <Formula>
C16H23N3O

>  <Molecular Weight>
273.380000

>  <IUPAC Name>
N-(4-tert-butyl-3-methoxy-2,6-dimethylphenyl)-1H-imidazol-2-amine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=C(C(=C1NC2=NC=CN2)C)OC)C(C)(C)C

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1NC2=NC=CN2)C)OC)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C16H23N3O/c1-10-9-12(16(3,4)5)14(20-6)11(2)13(10)19-15-17-7-8-18-15/h7-9H,1-6H3,(H2,17,18,19)

>  <InChI Key>
AZADEQYOIWOMER-UHFFFAOYSA-N

