
 CHEMBL555067

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.3098   -0.7981   -0.4130 C   0  0  0  0  0
    3.5658   -0.1300   -0.0404 N   0  0  0  0  0
    4.7259   -0.9622   -0.4376 C   0  0  0  0  0
    4.8117   -2.2920    0.2874 C   0  0  0  0  0
    4.9990   -3.4797   -0.4350 C   0  0  0  0  0
    5.1060   -4.7038    0.2276 C   0  0  0  0  0
    5.0324   -4.7539    1.6182 C   0  0  0  0  0
    4.8571   -3.5799    2.3486 C   0  0  0  0  0
    4.7540   -2.3546    1.6879 C   0  0  0  0  0
    3.6117    1.1848   -0.7069 C   0  0  0  0  0
    4.7781    1.9973   -0.2824 C   0  0  0  0  0
    5.7438    2.6672   -0.9956 C   0  0  0  0  0
    6.6568    3.2472   -0.1558 N   0  0  0  0  0
    6.2753    2.9469    1.0766 C   0  0  0  0  0
    5.1109    2.2143    1.0299 N   0  0  0  0  0
    6.9903    3.2955    2.3161 C   0  0  0  0  0
    8.2495    3.9124    2.1872 C   0  0  0  0  0
    9.0110    4.2498    3.3050 C   0  0  0  0  0
    8.5233    3.9754    4.5759 C   0  0  0  0  0
    7.2732    3.3710    4.7309 C   0  0  0  0  0
    6.4946    3.0309    3.6133 C   0  0  0  0  0
    5.2558    2.4400    3.7039 O   0  0  0  0  0
    4.7122    2.2415    5.0039 C   0  0  0  0  0
    1.4484   -0.1775   -0.1405 H   0  0  0  0  0
    2.1807   -1.7427    0.1256 H   0  0  0  0  0
    2.2556   -1.0040   -1.4889 H   0  0  0  0  0
    5.6677   -0.4481   -0.2097 H   0  0  0  0  0
    4.7165   -1.1266   -1.5234 H   0  0  0  0  0
    5.0657   -3.4587   -1.5201 H   0  0  0  0  0
    5.2505   -5.6180   -0.3419 H   0  0  0  0  0
    5.1153   -5.7072    2.1330 H   0  0  0  0  0
    4.8029   -3.6168    3.4332 H   0  0  0  0  0
    4.6207   -1.4424    2.2655 H   0  0  0  0  0
    2.7100    1.7561   -0.4484 H   0  0  0  0  0
    3.6124    1.0701   -1.7989 H   0  0  0  0  0
    5.8430    2.7477   -2.0702 H   0  0  0  0  0
    4.6319    1.8445    1.8407 H   0  0  0  0  0
    8.6455    4.1256    1.1946 H   0  0  0  0  0
    9.9825    4.7199    3.1771 H   0  0  0  0  0
    9.1162    4.2310    5.4506 H   0  0  0  0  0
    6.9386    3.1754    5.7442 H   0  0  0  0  0
    5.3003    1.5077    5.5644 H   0  0  0  0  0
    3.7025    1.8371    4.8837 H   0  0  0  0  0
    4.6260    3.1867    5.5502 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
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 16 17  2  0  0  0
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 17 18  1  0  0  0
 17 38  1  0  0  0
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 18 39  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 41  1  0  0  0
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 23 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL555067

>  <PubChem CID>
10447937

>  <Formula>
C19H21N3O

>  <Molecular Weight>
307.397000

>  <IUPAC Name>
N-[[2-(2-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=CC=C3OC

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=CC=C3OC

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

>  <InChI Key>
GKTCTWTVPFOPHM-UHFFFAOYSA-N

