
 CHEMBL523773

 57 61  0  0  0  0  0  0  0  0999 V2000
    1.9746   -0.9824    0.8426 C   0  0  0  0  0
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    3.4297    0.9054   -0.0031 C   0  0  0  0  0
    3.5336    1.8699   -0.7677 O   0  0  0  0  0
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    6.4770    0.5482    2.0125 C   0  0  0  0  0
    5.7989    1.0914    0.9361 N   0  0  0  0  0
    6.3256    2.1487    0.0837 C   0  0  0  0  0
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    7.1775    0.7372   -3.3625 C   0  0  0  0  0
    8.5481    0.5191   -3.2464 C   0  0  0  0  0
    9.2022    0.8364   -2.0592 C   0  0  0  0  0
    8.4846    1.3692   -0.9868 C   0  0  0  0  0
    2.7822   -1.6966    0.6637 H   0  0  0  0  0
    1.0436   -1.4612    0.5236 H   0  0  0  0  0
    1.9066   -0.7343    1.9055 H   0  0  0  0  0
    0.2268    0.2690   -0.6517 H   0  0  0  0  0
    1.2292    1.5792   -1.2300 H   0  0  0  0  0
    1.6294    3.6036    0.1163 H   0  0  0  0  0
    0.9080    5.0339    1.9863 H   0  0  0  0  0
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    6.9745    2.7836    0.6992 H   0  0  0  0  0
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    5.3898    1.4359   -2.4089 H   0  0  0  0  0
    6.6649    0.4912   -4.2888 H   0  0  0  0  0
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   10.2718    0.6666   -1.9658 H   0  0  0  0  0
    9.0196    1.6080   -0.0716 H   0  0  0  0  0
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  4  5  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL523773

>  <PubChem CID>
44579766

>  <Formula>
C26H25N5O

>  <Molecular Weight>
423.520000

>  <IUPAC Name>
1-benzyl-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylbenzimidazole-2-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC1=CC=C(C=C1)C2=NCCN2)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CN(CC1=CC=C(C=C1)C2=NCCN2)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H25N5O/c1-30(17-20-11-13-21(14-12-20)24-27-15-16-28-24)26(32)25-29-22-9-5-6-10-23(22)31(25)18-19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,27,28)

>  <InChI Key>
ZHWYOLRXGFKAQG-UHFFFAOYSA-N

