
 MLS000566231

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.5482    4.9499    0.5561 C   0  0  0  0  0
    1.9752    3.6894    0.8820 O   0  0  0  0  0
    2.7061    2.5757    0.5748 C   0  0  0  0  0
    2.1178    1.3686    0.9690 C   0  0  0  0  0
    2.7494    0.1475    0.7243 C   0  0  0  0  0
    3.9859    0.1236    0.0857 C   0  0  0  0  0
    4.5759    1.3288   -0.3127 C   0  0  0  0  0
    3.9371    2.5546   -0.0798 C   0  0  0  0  0
    5.8747    1.3221   -1.0213 C   0  0  0  0  0
    5.9962    1.9541   -2.0671 O   0  0  0  0  0
    6.8677    0.6059   -0.3954 N   0  0  0  0  0
    8.1302    0.4992   -0.9122 C   0  0  0  0  0
    9.1515   -0.0277   -0.2803 N   0  0  0  0  0
   10.2145    0.0982   -1.1431 C   0  0  0  0  0
   11.5611   -0.2543   -0.9666 C   0  0  0  0  0
   12.4590   -0.0264   -2.0182 C   0  0  0  0  0
   12.0234    0.5299   -3.2238 C   0  0  0  0  0
   10.6853    0.8929   -3.4167 C   0  0  0  0  0
    9.8174    0.6709   -2.3466 C   0  0  0  0  0
    8.4854    0.9288   -2.1658 N   0  0  0  0  0
    1.8423    5.7270    0.8657 H   0  0  0  0  0
    2.6989    5.0491   -0.5237 H   0  0  0  0  0
    3.4826    5.1103    1.1036 H   0  0  0  0  0
    1.1508    1.3825    1.4678 H   0  0  0  0  0
    2.2693   -0.7806    1.0247 H   0  0  0  0  0
    4.4640   -0.8295   -0.1262 H   0  0  0  0  0
    4.4228    3.4647   -0.4156 H   0  0  0  0  0
    6.7431    0.2198    0.5326 H   0  0  0  0  0
   11.8934   -0.6865   -0.0289 H   0  0  0  0  0
   13.5076   -0.2868   -1.8918 H   0  0  0  0  0
   12.7398    0.6898   -4.0276 H   0  0  0  0  0
   10.3476    1.3307   -4.3503 H   0  0  0  0  0
    7.8482    1.3762   -2.8121 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 27  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 20 33  1  0  0  0
M  END

>  <Chemical Name>
MLS000566231

>  <PubChem CID>
853103

>  <Formula>
C15H13N3O2

>  <Molecular Weight>
267.288000

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

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2

>  <Isomeric SMILES>
COC1=CC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C15H13N3O2/c1-20-11-6-4-5-10(9-11)14(19)18-15-16-12-7-2-3-8-13(12)17-15/h2-9H,1H3,(H2,16,17,18,19)

>  <InChI Key>
HXHRXGAOJPZWMK-UHFFFAOYSA-N

