
 CHEMBL492211

 70 74  0  0  0  0  0  0  0  0999 V2000
    3.1387   -1.5607    1.3229 C   0  0  0  0  0
    2.8148   -0.8693    0.0045 C   0  0  0  0  0
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    8.0414    3.1690   -3.3036 C   0  0  0  0  0
    9.2897    2.8151   -3.8085 C   0  0  0  0  0
   10.0894    1.9162   -3.1086 C   0  0  0  0  0
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    3.1486   -1.4702   -0.8453 H   0  0  0  0  0
    1.5186    1.3430   -0.5820 H   0  0  0  0  0
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    5.9796   -4.2171   -1.2259 H   0  0  0  0  0
    8.2902   -5.1429   -1.0498 H   0  0  0  0  0
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    9.6383    3.2388   -4.7466 H   0  0  0  0  0
   11.0639    1.6371   -3.5012 H   0  0  0  0  0
   10.2859    0.6710   -1.3808 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL492211

>  <PubChem CID>
44579652

>  <Formula>
C30H32N6O2

>  <Molecular Weight>
508.626000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C30H32N6O2/c1-3-35(21-27(37)34(2)19-23-13-15-24(16-14-23)28-31-17-18-32-28)30(38)29-33-25-11-7-8-12-26(25)36(29)20-22-9-5-4-6-10-22/h4-16H,3,17-21H2,1-2H3,(H,31,32)

>  <InChI Key>
IVAABIRXQVPZLC-UHFFFAOYSA-N

