
 CHEMBL489203

 67 71  0  0  0  0  0  0  0  0999 V2000
    2.5707    1.7140   -0.3466 C   0  0  0  0  0
    2.6436    1.1663    1.0034 N   0  0  0  0  0
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    5.1323    1.0709    0.9006 C   0  0  0  0  0
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    9.3294    3.2597   -0.4822 N   0  0  0  0  0
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    8.6207    4.2754   -2.3293 N   0  0  0  0  0
    7.7352    4.7550   -3.3811 C   0  0  0  0  0
    7.4915    3.7390   -4.4770 C   0  0  0  0  0
    6.2394    3.7097   -5.1118 C   0  0  0  0  0
    5.9955    2.8385   -6.1766 C   0  0  0  0  0
    6.9997    1.9864   -6.6277 C   0  0  0  0  0
    8.2492    2.0064   -6.0161 C   0  0  0  0  0
    8.4955    2.8816   -4.9553 C   0  0  0  0  0
    3.3551    2.4558   -0.5040 H   0  0  0  0  0
    1.6050    2.2015   -0.5064 H   0  0  0  0  0
    2.6984    0.8975   -1.0635 H   0  0  0  0  0
    0.8181    1.7735    1.7572 H   0  0  0  0  0
    1.5345    0.4638    2.6764 H   0  0  0  0  0
   -1.1116    1.1429    0.5413 H   0  0  0  0  0
   -2.4323   -0.5012   -0.6997 H   0  0  0  0  0
    0.6899   -3.4299   -0.1573 H   0  0  0  0  0
    2.0288   -1.7676    1.0775 H   0  0  0  0  0
   -2.0707   -5.1109   -3.2827 H   0  0  0  0  0
   -2.5278   -6.0083   -1.8184 H   0  0  0  0  0
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   -3.6415   -2.2974   -1.1016 H   0  0  0  0  0
    5.0155    0.9380   -0.1785 H   0  0  0  0  0
    5.8533    0.3047    1.2122 H   0  0  0  0  0
    5.8760    2.5183    2.3267 H   0  0  0  0  0
    4.9116    3.2271    1.0318 H   0  0  0  0  0
    7.7837    2.6205    0.9845 H   0  0  0  0  0
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   12.9764    5.4897   -3.5042 H   0  0  0  0  0
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    8.1836    5.6536   -3.8195 H   0  0  0  0  0
    6.8009    5.0788   -2.9130 H   0  0  0  0  0
    5.4388    4.3683   -4.7799 H   0  0  0  0  0
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    6.8104    1.3082   -7.4555 H   0  0  0  0  0
    9.0378    1.3442   -6.3656 H   0  0  0  0  0
    9.4893    2.8706   -4.5144 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  2  0  0  0
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 32 33  2  0  0  0
 32 37  1  0  0  0
 33 34  1  0  0  0
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 34 35  2  0  0  0
 34 64  1  0  0  0
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 36 37  2  0  0  0
 36 66  1  0  0  0
 37 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL489203

>  <PubChem CID>
44579865

>  <Formula>
C29H30N6O2

>  <Molecular Weight>
494.599000

>  <IUPAC Name>
1-benzyl-N-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl-methylamino]-3-oxopropyl]benzimidazole-2-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C29H30N6O2/c1-34(19-22-11-13-23(14-12-22)27-30-17-18-31-27)26(36)15-16-32-29(37)28-33-24-9-5-6-10-25(24)35(28)20-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3,(H,30,31)(H,32,37)

>  <InChI Key>
RTGZGGMIBCDDAZ-UHFFFAOYSA-N

