
 CHEMBL541062

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.2570   -0.0658    0.2016 C   0  0  0  0  0
    2.6992    0.0825   -0.0225 N   0  0  0  0  0
    3.1495   -0.7570   -1.1573 C   0  0  0  0  0
    2.9831   -2.2474   -0.9379 C   0  0  0  0  0
    1.8654   -2.9244   -1.4526 C   0  0  0  0  0
    1.7082   -4.2956   -1.2466 C   0  0  0  0  0
    2.6714   -5.0078   -0.5358 C   0  0  0  0  0
    3.7883   -4.3488   -0.0241 C   0  0  0  0  0
    3.9409   -2.9742   -0.2176 C   0  0  0  0  0
    3.0024    1.4969   -0.3009 C   0  0  0  0  0
    4.4296    1.7996   -0.0326 C   0  0  0  0  0
    5.4408    2.3069   -0.8134 C   0  0  0  0  0
    6.6004    2.4247   -0.0922 N   0  0  0  0  0
    6.3178    2.0218    1.1341 C   0  0  0  0  0
    5.0075    1.6052    1.1962 N   0  0  0  0  0
    7.2446    1.9723    2.2647 C   0  0  0  0  0
    8.6127    1.7895    2.0243 C   0  0  0  0  0
    9.5281    1.7193    3.0811 C   0  0  0  0  0
    9.0849    1.8423    4.3964 C   0  0  0  0  0
    7.7293    2.0652    4.6431 C   0  0  0  0  0
    6.8122    2.1209    3.5882 C   0  0  0  0  0
    9.8780    1.7970    5.5095 O   0  0  0  0  0
   11.1150    1.1084    5.3607 C   0  0  0  0  0
    0.9222    0.5947    1.0101 H   0  0  0  0  0
    1.0071   -1.0787    0.5331 H   0  0  0  0  0
    0.6720    0.1680   -0.6952 H   0  0  0  0  0
    4.2167   -0.5853   -1.3510 H   0  0  0  0  0
    2.6334   -0.4698   -2.0840 H   0  0  0  0  0
    1.1057   -2.3816   -2.0097 H   0  0  0  0  0
    0.8340   -4.8070   -1.6408 H   0  0  0  0  0
    2.5513   -6.0767   -0.3792 H   0  0  0  0  0
    4.5414   -4.9056    0.5277 H   0  0  0  0  0
    4.8141   -2.4695    0.1904 H   0  0  0  0  0
    2.4174    2.1488    0.3626 H   0  0  0  0  0
    2.7255    1.7762   -1.3258 H   0  0  0  0  0
    5.3996    2.5938   -1.8561 H   0  0  0  0  0
    4.5553    1.1875    1.9973 H   0  0  0  0  0
    8.9713    1.6997    0.9998 H   0  0  0  0  0
   10.5770    1.5857    2.8398 H   0  0  0  0  0
    7.3839    2.1915    5.6665 H   0  0  0  0  0
    5.7667    2.3059    3.8199 H   0  0  0  0  0
   11.5676    1.0187    6.3529 H   0  0  0  0  0
   11.8093    1.6713    4.7299 H   0  0  0  0  0
   10.9597    0.0961    4.9712 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 23 42  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL541062

>  <PubChem CID>
10018103

>  <Formula>
C19H21N3O

>  <Molecular Weight>
307.397000

>  <IUPAC Name>
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C19H21N3O/c1-22(13-15-6-4-3-5-7-15)14-17-12-20-19(21-17)16-8-10-18(23-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,20,21)

>  <InChI Key>
JXFBPQKTCCCYHT-UHFFFAOYSA-N

