
 6-Methoxy-1-phenyl-1H-benzimidazole

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.6253    1.2719    0.0761 C   0  0  0  0  0
    2.0075    0.9378    0.0788 O   0  0  0  0  0
    2.8989    1.9786    0.0715 C   0  0  0  0  0
    4.2433    1.5761    0.0416 C   0  0  0  0  0
    5.2457    2.5631    0.0443 C   0  0  0  0  0
    4.9160    3.9189    0.0111 C   0  0  0  0  0
    3.5692    4.3114    0.0463 C   0  0  0  0  0
    2.5679    3.3322    0.0846 C   0  0  0  0  0
    6.0298    4.7046   -0.0790 N   0  0  0  0  0
    7.0334    3.8593   -0.1060 C   0  0  0  0  0
    6.6367    2.5409    0.0059 N   0  0  0  0  0
    7.5193    1.4243    0.0767 C   0  0  0  0  0
    8.7975    1.5051   -0.4981 C   0  0  0  0  0
    9.6702    0.4153   -0.4322 C   0  0  0  0  0
    9.2828   -0.7532    0.2184 C   0  0  0  0  0
    8.0245   -0.8333    0.8092 C   0  0  0  0  0
    7.1443    0.2509    0.7422 C   0  0  0  0  0
    0.0556    0.3376    0.0724 H   0  0  0  0  0
    0.3554    1.8297   -0.8270 H   0  0  0  0  0
    0.3511    1.8250    0.9806 H   0  0  0  0  0
    4.4770    0.5182   -0.0112 H   0  0  0  0  0
    3.3167    5.3666    0.0289 H   0  0  0  0  0
    1.5374    3.6696    0.1073 H   0  0  0  0  0
    8.0724    4.1533   -0.1513 H   0  0  0  0  0
    9.1305    2.3862   -1.0406 H   0  0  0  0  0
   10.6523    0.4775   -0.8950 H   0  0  0  0  0
    9.9637   -1.5990    0.2707 H   0  0  0  0  0
    7.7296   -1.7381    1.3358 H   0  0  0  0  0
    6.1992    0.1654    1.2695 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 16 17  2  0  0  0
 16 28  1  0  0  0
 17 29  1  0  0  0
M  END

>  <Chemical Name>
6-Methoxy-1-phenyl-1H-benzimidazole

>  <PubChem CID>
652633

>  <Formula>
C14H12N2O

>  <Molecular Weight>
224.263000

>  <IUPAC Name>
6-methoxy-1-phenylbenzimidazole

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N=CN2C3=CC=CC=C3

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N=CN2C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3

>  <InChI Key>
DBDPQMUWFPDEFP-UHFFFAOYSA-N

