
 CHEMBL487909

 74 79  0  0  0  0  0  0  0  0999 V2000
    3.4979   -1.5100    2.0719 C   0  0  0  0  0
    2.8049   -0.5001    1.2850 N   0  0  0  0  0
    1.3945   -0.2798    1.6120 C   0  0  0  0  0
    1.2003    0.6950    2.7540 C   0  0  0  0  0
    1.0243    2.0615    2.4880 C   0  0  0  0  0
    0.8383    2.9739    3.5287 C   0  0  0  0  0
    0.8447    2.5339    4.8538 C   0  0  0  0  0
    1.0258    1.1756    5.1338 C   0  0  0  0  0
    1.1994    0.2614    4.0883 C   0  0  0  0  0
    0.6459    3.5123    5.9509 C   0  0  0  0  0
    0.0938    4.6815    5.7351 N   0  0  0  0  0
    0.0642    5.3338    7.0720 C   0  0  0  0  0
    0.9972    4.5161    7.9653 C   0  0  0  0  0
    1.0548    3.2638    7.2430 N   0  0  0  0  0
    3.4158    0.4093    0.4267 C   0  0  0  0  0
    2.7640    1.2714   -0.1685 O   0  0  0  0  0
    4.9242    0.2850    0.1798 C   0  0  0  0  0
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    5.4570    1.8563   -1.7501 C   0  0  0  0  0
    5.5164    1.6428   -0.2420 C   0  0  0  0  0
    6.3868    1.0184   -3.8542 C   0  0  0  0  0
    5.9556    2.0353   -4.4012 O   0  0  0  0  0
    7.1782    0.0408   -4.6010 C   0  0  0  0  0
    8.1809   -0.6433   -4.0719 N   0  0  0  0  0
    8.7409   -1.3514   -5.0993 C   0  0  0  0  0
    9.8429   -2.2201   -5.0721 C   0  0  0  0  0
   10.2619   -2.8211   -6.2632 C   0  0  0  0  0
    9.5891   -2.5689   -7.4568 C   0  0  0  0  0
    8.4708   -1.7274   -7.4959 C   0  0  0  0  0
    8.0670   -1.1237   -6.2957 C   0  0  0  0  0
    7.0433   -0.2606   -5.9516 N   0  0  0  0  0
    5.8670    0.0714   -6.7570 C   0  0  0  0  0
    6.1320    0.4256   -8.1999 C   0  0  0  0  0
    7.0120    1.4576   -8.5534 C   0  0  0  0  0
    7.2200    1.7795   -9.8965 C   0  0  0  0  0
    6.5409    1.0869  -10.8986 C   0  0  0  0  0
    5.6482    0.0740  -10.5604 C   0  0  0  0  0
    5.4402   -0.2517   -9.2192 C   0  0  0  0  0
    4.4629   -1.7842    1.6488 H   0  0  0  0  0
    2.8836   -2.4148    2.1115 H   0  0  0  0  0
    3.6554   -1.1285    3.0841 H   0  0  0  0  0
    0.9291   -1.2433    1.8545 H   0  0  0  0  0
    0.8633    0.0881    0.7253 H   0  0  0  0  0
    1.0280    2.4252    1.4611 H   0  0  0  0  0
    0.6933    4.0276    3.3007 H   0  0  0  0  0
    1.0031    0.8153    6.1583 H   0  0  0  0  0
    1.3231   -0.7931    4.3232 H   0  0  0  0  0
    0.3914    6.3755    7.0003 H   0  0  0  0  0
   -0.9634    5.3165    7.4523 H   0  0  0  0  0
    0.6068    4.3942    8.9789 H   0  0  0  0  0
    1.9917    4.9728    8.0101 H   0  0  0  0  0
    1.9103    2.7301    7.3441 H   0  0  0  0  0
    5.4116    0.0289    1.1271 H   0  0  0  0  0
    4.2843   -0.9655   -1.4815 H   0  0  0  0  0
    5.3856   -1.7646   -0.3756 H   0  0  0  0  0
    7.2817   -0.3832   -1.2352 H   0  0  0  0  0
    6.4580   -1.2980   -2.5119 H   0  0  0  0  0
    5.9322    2.8116   -2.0037 H   0  0  0  0  0
    4.4208    1.9072   -2.1020 H   0  0  0  0  0
    6.5675    1.6773    0.0749 H   0  0  0  0  0
    5.0141    2.4709    0.2725 H   0  0  0  0  0
   10.3618   -2.4077   -4.1389 H   0  0  0  0  0
   11.1237   -3.4837   -6.2569 H   0  0  0  0  0
    9.9389   -3.0302   -8.3782 H   0  0  0  0  0
    7.9687   -1.5417   -8.4387 H   0  0  0  0  0
    5.3240    0.9019   -6.3039 H   0  0  0  0  0
    5.2186   -0.8110   -6.6872 H   0  0  0  0  0
    7.5446    2.0164   -7.7857 H   0  0  0  0  0
    7.9108    2.5759  -10.1627 H   0  0  0  0  0
    6.7025    1.3426  -11.9427 H   0  0  0  0  0
    5.1098   -0.4603  -11.3391 H   0  0  0  0  0
    4.7334   -1.0428   -8.9768 H   0  0  0  0  0
  1  2  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  2 15  1  0  0  0
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  4  5  2  0  0  0
  4  9  1  0  0  0
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  6  7  2  0  0  0
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 34 69  1  0  0  0
 35 36  2  0  0  0
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 36 37  1  0  0  0
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 37 38  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL487909

>  <PubChem CID>
44579890

>  <Formula>
C32H34N6O2

>  <Molecular Weight>
534.664000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1=CC=C(C=C1)C2=NCCN2)C(=O)C3CCN(CC3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6

>  <Isomeric SMILES>
CN(CC1=CC=C(C=C1)C2=NCCN2)C(=O)C3CCN(CC3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C32H34N6O2/c1-36(21-24-11-13-25(14-12-24)29-33-17-18-34-29)31(39)26-15-19-37(20-16-26)32(40)30-35-27-9-5-6-10-28(27)38(30)22-23-7-3-2-4-8-23/h2-14,26H,15-22H2,1H3,(H,33,34)

>  <InChI Key>
WWWSJUJRVKJWBV-UHFFFAOYSA-N

