
 CHEMBL241684

 53 57  0  0  0  0  0  0  0  0999 V2000
    3.0176    2.4757    3.5307 C   0  0  0  0  0
    3.9608    2.0317    2.4196 C   0  0  0  0  0
    3.8349    2.8702    1.1846 C   0  0  0  0  0
    3.0301    3.9012    1.0786 N   0  0  0  0  0
    3.1587    4.3532   -0.1981 C   0  0  0  0  0
    2.4777    5.4365   -0.7765 C   0  0  0  0  0
    2.6947    5.7473   -2.1134 C   0  0  0  0  0
    3.5788    4.9795   -2.8606 C   0  0  0  0  0
    4.2901    3.8920   -2.2997 C   0  0  0  0  0
    4.0703    3.5853   -0.9354 C   0  0  0  0  0
    4.5483    2.6751    0.0031 N   0  0  0  0  0
    5.5870    1.6598   -0.1586 C   0  0  0  0  0
    6.9703    2.1798    0.1637 C   0  0  0  0  0
    7.4827    2.1012    1.4656 C   0  0  0  0  0
    8.7399    2.6224    1.7876 C   0  0  0  0  0
    9.5420    3.1892    0.7984 C   0  0  0  0  0
    9.0490    3.2573   -0.5116 C   0  0  0  0  0
    7.7797    2.7530   -0.8226 C   0  0  0  0  0
   10.8145    3.7523    1.1163 N   0  0  0  0  0
   11.3429    4.8556    0.4564 C   0  0  0  0  0
   12.4736    5.2854    1.1093 C   0  0  0  0  0
   12.6978    4.3878    2.1688 C   0  0  0  0  0
   11.7154    3.4107    2.1200 C   0  0  0  0  0
   11.7619    2.1880    2.9744 C   0  0  0  0  0
   12.6547    2.0380    3.9691 N   0  0  0  0  0
   12.3278    0.8123    4.3986 N   0  0  0  0  0
   11.3229    0.2129    3.7534 N   0  0  0  0  0
   10.9658    1.0818    2.8192 N   0  0  0  0  0
    5.1449    3.1093   -3.2150 C   0  0  0  0  0
    5.1923    1.8943   -3.2652 O   0  0  0  0  0
    5.8397    3.9738   -3.9984 O   0  0  0  0  0
    6.6521    3.3681   -5.0065 C   0  0  0  0  0
    3.1544    1.8474    4.4164 H   0  0  0  0  0
    1.9707    2.4022    3.2183 H   0  0  0  0  0
    3.2127    3.5139    3.8225 H   0  0  0  0  0
    3.7558    0.9830    2.1789 H   0  0  0  0  0
    4.9755    2.1013    2.8112 H   0  0  0  0  0
    1.7817    6.0107   -0.1739 H   0  0  0  0  0
    2.1627    6.5770   -2.5709 H   0  0  0  0  0
    3.7062    5.2264   -3.9148 H   0  0  0  0  0
    5.5383    1.2451   -1.1620 H   0  0  0  0  0
    5.3445    0.8164    0.4980 H   0  0  0  0  0
    6.9161    1.6295    2.2620 H   0  0  0  0  0
    9.0406    2.6028    2.8315 H   0  0  0  0  0
    9.6452    3.6680   -1.3227 H   0  0  0  0  0
    7.4455    2.7997   -1.8544 H   0  0  0  0  0
   10.8278    5.3040   -0.3819 H   0  0  0  0  0
   13.0708    6.1488    0.8445 H   0  0  0  0  0
   13.5290    4.4070    2.8637 H   0  0  0  0  0
   12.8137    0.3603    5.1682 H   0  0  0  0  0
    6.0249    3.0735   -5.8532 H   0  0  0  0  0
    7.2084    2.5096   -4.6180 H   0  0  0  0  0
    7.3718    4.1159   -5.3509 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 27 28  2  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 32 51  1  0  0  0
 32 52  1  0  0  0
 32 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL241684

>  <PubChem CID>
44438868

>  <Formula>
C23H21N7O2

>  <Molecular Weight>
427.468000

>  <IUPAC Name>
methyl 2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylate

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)N4C=CC=C4C5=NNN=N5)C(=O)OC

>  <Isomeric SMILES>
CCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)N4C=CC=C4C5=NNN=N5)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C23H21N7O2/c1-3-20-24-18-7-4-6-17(23(31)32-2)21(18)30(20)14-15-9-11-16(12-10-15)29-13-5-8-19(29)22-25-27-28-26-22/h4-13H,3,14H2,1-2H3,(H,25,26,27,28)

>  <InChI Key>
ADNLDCNKXXQYRA-UHFFFAOYSA-N

