
 CHEMBL483457

 59 62  0  0  0  0  0  0  0  0999 V2000
    2.5339    0.8800    3.0457 C   0  0  0  0  0
    2.3405    2.2835    2.7151 N   0  0  0  0  0
    1.4374    3.0497    3.5703 C   0  0  0  0  0
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   -4.9811    1.6388    2.9571 N   0  0  0  0  0
    3.1078    2.9725    1.7821 C   0  0  0  0  0
    2.9195    4.1667    1.5311 O   0  0  0  0  0
    4.2065    2.1931    1.0506 C   0  0  0  0  0
    5.1499    3.1102    0.4544 N   0  0  0  0  0
    6.3235    2.7050   -0.1281 C   0  0  0  0  0
    6.6373    1.5198   -0.1937 O   0  0  0  0  0
    7.1240    3.8115   -0.6360 C   0  0  0  0  0
    6.7519    5.0750   -0.4767 N   0  0  0  0  0
    7.7153    5.8320   -1.0885 C   0  0  0  0  0
    7.8039    7.2262   -1.2124 C   0  0  0  0  0
    8.8770    7.7726   -1.9257 C   0  0  0  0  0
    9.8442    6.9466   -2.4997 C   0  0  0  0  0
    9.7850    5.5545   -2.3641 C   0  0  0  0  0
    8.7041    5.0282   -1.6448 C   0  0  0  0  0
    8.3373    3.7458   -1.2909 N   0  0  0  0  0
    9.1148    2.5462   -1.5705 C   0  0  0  0  0
   10.2132    2.2857   -0.5606 C   0  0  0  0  0
   11.3737    1.6109   -0.9816 C   0  0  0  0  0
   12.3971    1.3131   -0.0790 C   0  0  0  0  0
   12.2756    1.6751    1.2603 C   0  0  0  0  0
   11.1269    2.3269    1.6986 C   0  0  0  0  0
   10.1010    2.6225    0.7979 C   0  0  0  0  0
    2.8963    0.3151    2.1840 H   0  0  0  0  0
    1.5903    0.4376    3.3764 H   0  0  0  0  0
    3.2701    0.8166    3.8525 H   0  0  0  0  0
    1.6609    4.1220    3.5177 H   0  0  0  0  0
    1.6366    2.7539    4.6087 H   0  0  0  0  0
   -0.5473    1.9702    5.1331 H   0  0  0  0  0
   -2.9367    1.7895    4.6326 H   0  0  0  0  0
   -2.2627    3.5426    0.7459 H   0  0  0  0  0
    0.1397    3.7481    1.2610 H   0  0  0  0  0
   -4.5902    0.8855    3.5015 H   0  0  0  0  0
   -5.9384    1.5466    2.6407 H   0  0  0  0  0
    3.7598    1.5890    0.2536 H   0  0  0  0  0
    4.7583    1.5507    1.7422 H   0  0  0  0  0
    4.9405    4.1100    0.4524 H   0  0  0  0  0
    7.0471    7.8607   -0.7647 H   0  0  0  0  0
    8.9529    8.8518   -2.0342 H   0  0  0  0  0
   10.6644    7.3934   -3.0587 H   0  0  0  0  0
   10.5493    4.9215   -2.8018 H   0  0  0  0  0
    9.5477    2.6867   -2.5688 H   0  0  0  0  0
    8.4503    1.6837   -1.6430 H   0  0  0  0  0
   11.4875    1.3076   -2.0199 H   0  0  0  0  0
   13.2884    0.7926   -0.4196 H   0  0  0  0  0
   13.0712    1.4435    1.9633 H   0  0  0  0  0
   11.0255    2.6068    2.7441 H   0  0  0  0  0
    9.2157    3.1232    1.1836 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 42  1  0  0  0
  9 43  1  0  0  0
 10 12  1  0  0  0
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 34 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL483457

>  <PubChem CID>
44579928

>  <Formula>
C26H25N5O3

>  <Molecular Weight>
455.518000

>  <IUPAC Name>
1-benzyl-N-[2-[(4-carbamoylphenyl)methyl-methylamino]-2-oxoethyl]benzimidazole-2-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1=CC=C(C=C1)C(=O)N)C(=O)CNC(=O)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4

>  <Isomeric SMILES>
CN(CC1=CC=C(C=C1)C(=O)N)C(=O)CNC(=O)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H25N5O3/c1-30(16-19-11-13-20(14-12-19)24(27)33)23(32)15-28-26(34)25-29-21-9-5-6-10-22(21)31(25)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H2,27,33)(H,28,34)

>  <InChI Key>
YUELRGJVGWBTOM-UHFFFAOYSA-N

