
 CHEMBL1402439

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.2103   -0.7813    1.0220 C   0  0  0  0  0
    1.4417    0.4025    1.4044 N   0  0  0  0  0
    0.8750    0.3567    2.7555 C   0  0  0  0  0
    1.8344    1.6596    0.9217 C   0  0  0  0  0
    1.0992    2.8200    1.2366 C   0  0  0  0  0
    1.4594    4.0912    0.7702 C   0  0  0  0  0
    2.5777    4.2438   -0.0376 C   0  0  0  0  0
    3.3130    3.1117   -0.3875 C   0  0  0  0  0
    2.9366    1.8380    0.0683 C   0  0  0  0  0
    4.4907    3.2428   -1.2743 C   0  0  0  0  0
    4.5842    2.5370   -2.2738 O   0  0  0  0  0
    5.4170    4.1709   -0.8552 N   0  0  0  0  0
    6.5534    4.4456   -1.5688 C   0  0  0  0  0
    7.5315    5.2111   -1.1455 N   0  0  0  0  0
    8.4644    5.1955   -2.1568 C   0  0  0  0  0
    9.7247    5.8071   -2.2253 C   0  0  0  0  0
   10.4900    5.6424   -3.3875 C   0  0  0  0  0
   10.0059    4.8934   -4.4636 C   0  0  0  0  0
    8.7532    4.2705   -4.4124 C   0  0  0  0  0
    8.0203    4.4377   -3.2358 C   0  0  0  0  0
    6.8047    3.9593   -2.8262 N   0  0  0  0  0
    2.2966   -0.8684   -0.0664 H   0  0  0  0  0
    1.7050   -1.6939    1.3590 H   0  0  0  0  0
    3.2092   -0.7659    1.4722 H   0  0  0  0  0
    0.6678   -0.6756    3.0597 H   0  0  0  0  0
   -0.0832    0.8822    2.8130 H   0  0  0  0  0
    1.5707    0.7833    3.4871 H   0  0  0  0  0
    0.1957    2.7537    1.8367 H   0  0  0  0  0
    0.8495    4.9531    1.0295 H   0  0  0  0  0
    2.8427    5.2260   -0.4159 H   0  0  0  0  0
    3.5437    0.9944   -0.2477 H   0  0  0  0  0
    5.3461    4.6245    0.0469 H   0  0  0  0  0
   10.0942    6.3883   -1.3878 H   0  0  0  0  0
   11.4720    6.1051   -3.4508 H   0  0  0  0  0
   10.6169    4.7873   -5.3579 H   0  0  0  0  0
    8.3790    3.6845   -5.2446 H   0  0  0  0  0
    6.1813    3.3402   -3.3285 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 31  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 21  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 21 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1402439

>  <PubChem CID>
2094784

>  <Formula>
C16H16N4O

>  <Molecular Weight>
280.331000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)C1=CC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2

>  <Isomeric SMILES>
CN(C)C1=CC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C16H16N4O/c1-20(2)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21)

>  <InChI Key>
YBHKNPOLPRIBBG-UHFFFAOYSA-N

