
 CHEMBL544059

 44 46  0  0  0  0  0  0  0  0999 V2000
    3.3082   -0.7161    0.3068 C   0  0  0  0  0
    4.4791    0.1722    0.3234 N   0  0  0  0  0
    5.6352   -0.4789   -0.3341 C   0  0  0  0  0
    6.1131   -1.7449    0.3516 C   0  0  0  0  0
    5.7641   -3.0046   -0.1625 C   0  0  0  0  0
    6.2114   -4.1735    0.4537 C   0  0  0  0  0
    7.0172   -4.1004    1.5870 C   0  0  0  0  0
    7.3657   -2.8578    2.1108 C   0  0  0  0  0
    6.9116   -1.6840    1.5019 C   0  0  0  0  0
    4.1191    1.4172   -0.3867 C   0  0  0  0  0
    5.1119    2.5038   -0.1987 C   0  0  0  0  0
    5.5086    3.5412   -1.0094 C   0  0  0  0  0
    6.4492    4.3184   -0.3836 N   0  0  0  0  0
    6.6427    3.7813    0.8109 C   0  0  0  0  0
    5.8306    2.6808    0.9540 N   0  0  0  0  0
    7.5660    4.2761    1.8450 C   0  0  0  0  0
    7.7803    3.6215    3.0818 C   0  0  0  0  0
    8.6756    4.1742    4.0094 C   0  0  0  0  0
    9.3515    5.3632    3.7254 C   0  0  0  0  0
    9.1425    6.0071    2.5122 C   0  0  0  0  0
    8.2619    5.4713    1.5784 C   0  0  0  0  0
    9.9760    7.4719    2.1684 Cl  0  0  0  0  0
    7.0877    2.4543    3.2988 O   0  0  0  0  0
    7.2193    1.8270    4.5695 C   0  0  0  0  0
    2.4312   -0.2136    0.7339 H   0  0  0  0  0
    3.4688   -1.6034    0.9284 H   0  0  0  0  0
    3.0501   -1.0406   -0.7095 H   0  0  0  0  0
    6.4957    0.2038   -0.3508 H   0  0  0  0  0
    5.4125   -0.6975   -1.3879 H   0  0  0  0  0
    5.1366   -3.0789   -1.0484 H   0  0  0  0  0
    5.9329   -5.1424    0.0459 H   0  0  0  0  0
    7.3718   -5.0107    2.0617 H   0  0  0  0  0
    7.9974   -2.7994    2.9954 H   0  0  0  0  0
    7.1891   -0.7198    1.9206 H   0  0  0  0  0
    3.1676    1.8005    0.0069 H   0  0  0  0  0
    3.9634    1.2274   -1.4568 H   0  0  0  0  0
    5.1652    3.7757   -2.0083 H   0  0  0  0  0
    5.7990    2.0849    1.7713 H   0  0  0  0  0
    8.8743    3.7030    4.9668 H   0  0  0  0  0
   10.0400    5.7807    4.4568 H   0  0  0  0  0
    8.1052    5.9834    0.6303 H   0  0  0  0  0
    6.5635    0.9514    4.5756 H   0  0  0  0  0
    6.8935    2.4929    5.3748 H   0  0  0  0  0
    8.2440    1.4767    4.7294 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
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 17 23  1  0  0  0
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 24 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL544059

>  <PubChem CID>
10246732

>  <Formula>
C19H20ClN3O

>  <Molecular Weight>
341.839000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C19H20ClN3O/c1-23(12-14-6-4-3-5-7-14)13-16-11-21-19(22-16)17-10-15(20)8-9-18(17)24-2/h3-11H,12-13H2,1-2H3,(H,21,22)

>  <InChI Key>
HNCIZBMUGXDVDA-UHFFFAOYSA-N

