
 CHEMBL3219001

 72 77  0  0  0  0  0  0  0  0999 V2000
    5.2457   -1.0289    2.4428 C   0  0  0  0  0
    4.0260   -0.3550    1.8662 C   0  0  0  0  0
    3.0960   -0.0162    2.5885 O   0  0  0  0  0
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    3.4830    0.3987   -1.7457 C   0  0  0  0  0
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    4.1654    5.8039   -8.2557 C   0  0  0  0  0
    5.3665    6.4969   -8.4538 C   0  0  0  0  0
    6.5700    5.9162   -8.0371 C   0  0  0  0  0
    6.5660    4.6709   -7.3948 C   0  0  0  0  0
    5.3840    7.8347   -9.1290 C   0  0  0  0  0
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    3.6603    8.7321   -7.7172 N   0  0  0  0  0
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    0.8768   11.0844   -7.0409 C   0  0  0  0  0
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    1.6853   11.2565   -9.3311 C   0  0  0  0  0
    2.6718   10.2978   -9.0287 C   0  0  0  0  0
    3.6874    9.6666   -9.7604 N   0  0  0  0  0
    4.0112    9.9145  -11.1333 C   0  0  0  0  0
    3.8831   11.2054  -11.6692 C   0  0  0  0  0
    4.1625   11.4491  -13.0189 C   0  0  0  0  0
    4.5904   10.4090  -13.8376 C   0  0  0  0  0
    4.7385    9.1269  -13.3178 C   0  0  0  0  0
    4.4444    8.8769  -11.9714 C   0  0  0  0  0
    4.9400   10.7102  -15.4943 Cl  0  0  0  0  0
    6.1558   -0.5403    2.0835 H   0  0  0  0  0
    5.2512   -2.0838    2.1558 H   0  0  0  0  0
    5.2229   -0.9557    3.5340 H   0  0  0  0  0
    4.9628   -0.5549    0.0574 H   0  0  0  0  0
    1.6390    0.8551    1.0902 H   0  0  0  0  0
    0.0744    1.7654   -0.5442 H   0  0  0  0  0
    0.6261    1.8097   -2.9331 H   0  0  0  0  0
    4.4383   -0.0076   -2.0603 H   0  0  0  0  0
    2.0953    0.4121   -4.6560 H   0  0  0  0  0
    1.9401    2.9834   -4.3457 H   0  0  0  0  0
    2.6074    2.3765   -5.8360 H   0  0  0  0  0
    3.9396    4.2724   -4.8827 H   0  0  0  0  0
    4.2032    3.3791   -3.4223 H   0  0  0  0  0
    6.3300    0.8015   -4.9151 H   0  0  0  0  0
    5.6634    1.3909   -3.4213 H   0  0  0  0  0
    4.1205    0.1488   -5.7514 H   0  0  0  0  0
    4.3989   -0.5971   -4.2026 H   0  0  0  0  0
    4.5419    2.0153   -6.9690 H   0  0  0  0  0
    6.2764    2.1029   -6.8309 H   0  0  0  0  0
    3.2213    4.0393   -7.4888 H   0  0  0  0  0
    3.2139    6.2250   -8.5702 H   0  0  0  0  0
    7.5124    6.4364   -8.1953 H   0  0  0  0  0
    7.5076    4.2434   -7.0557 H   0  0  0  0  0
    1.8745    9.6322   -5.7830 H   0  0  0  0  0
    0.1821   11.3974   -6.2654 H   0  0  0  0  0
    0.0425   12.3941   -8.5221 H   0  0  0  0  0
    1.5713   11.6833  -10.3213 H   0  0  0  0  0
    3.6152   12.0570  -11.0497 H   0  0  0  0  0
    4.0577   12.4547  -13.4184 H   0  0  0  0  0
    5.0807    8.3133  -13.9527 H   0  0  0  0  0
    4.5421    7.8526  -11.6238 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
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  9 11  1  0  0  0
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 40 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3219001

>  <PubChem CID>
90666098

>  <Formula>
C34H31ClN4O2

>  <Molecular Weight>
563.098000

>  <IUPAC Name>
N-[3-[1-[[4-[1-(4-chlorophenyl)benzimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)C4=NC5=CC=CC=C5N4C6=CC=C(C=C6)Cl

>  <Isomeric SMILES>
CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)C4=NC5=CC=CC=C5N4C6=CC=C(C=C6)Cl

>  <InChI Std. ID>
InChI=1S/C34H31ClN4O2/c1-23(40)36-29-6-4-5-27(21-29)25-17-19-38(20-18-25)22-24-9-11-26(12-10-24)33(41)34-37-31-7-2-3-8-32(31)39(34)30-15-13-28(35)14-16-30/h2-16,21,25H,17-20,22H2,1H3,(H,36,40)

>  <InChI Key>
ADQFOTNYOVDLON-UHFFFAOYSA-N

