
 1-[(2,2-Dimethylcyclopropyl)methyl]-2-(9-ethyl-9H-carbazol-3-yl)-1H-benzimidazole-5-carboxylic acid

 60 65  0  0  0  0  0  0  0  0999 V2000
    2.0745    0.0493   -2.4812 C   0  0  0  0  0
    1.9261    0.7663   -1.1514 C   0  0  0  0  0
    3.1074    0.6365   -0.3124 N   0  0  0  0  0
    4.1834    1.5039   -0.3314 C   0  0  0  0  0
    5.0463    1.0985    0.6859 C   0  0  0  0  0
    6.2321    1.8316    0.9054 C   0  0  0  0  0
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    4.4705    2.6111   -1.1458 C   0  0  0  0  0
    7.8791    3.5614    0.1653 C   0  0  0  0  0
    8.0360    4.8733    0.0966 N   0  0  0  0  0
    9.3807    5.1114    0.1861 C   0  0  0  0  0
   10.0874    3.9226    0.3106 C   0  0  0  0  0
    9.1147    2.9421    0.2647 N   0  0  0  0  0
    9.4064    1.5161    0.1395 C   0  0  0  0  0
    9.7535    0.8718    1.4545 C   0  0  0  0  0
    8.8922   -0.2201    2.0470 C   0  0  0  0  0
   10.2620   -0.5670    1.5210 C   0  0  0  0  0
   10.3275   -1.4116    0.2735 C   0  0  0  0  0
   11.3389   -0.8820    2.5275 C   0  0  0  0  0
   11.4827    3.8771    0.4148 C   0  0  0  0  0
   12.1646    5.0985    0.3660 C   0  0  0  0  0
   11.4742    6.3102    0.2204 C   0  0  0  0  0
   10.0739    6.3299    0.1439 C   0  0  0  0  0
   12.1936    7.5998    0.1238 C   0  0  0  0  0
   11.6798    8.7026    0.1158 O   0  0  0  0  0
   13.5214    7.4552    0.0039 O   0  0  0  0  0
    4.4934   -0.0753    1.2854 C   0  0  0  0  0
    4.9258   -0.9366    2.3164 C   0  0  0  0  0
    4.1760   -2.0739    2.6300 C   0  0  0  0  0
    3.0024   -2.3554    1.9394 C   0  0  0  0  0
    2.5408   -1.5065    0.9288 C   0  0  0  0  0
    3.3037   -0.3681    0.6169 C   0  0  0  0  0
    1.1633    0.1644   -3.0762 H   0  0  0  0  0
    2.2548   -1.0210   -2.3369 H   0  0  0  0  0
    2.9119    0.4543   -3.0587 H   0  0  0  0  0
    1.0692    0.3730   -0.5943 H   0  0  0  0  0
    1.7358    1.8338   -1.3059 H   0  0  0  0  0
    6.8793    1.5548    1.7292 H   0  0  0  0  0
    5.9365    4.1210   -1.5895 H   0  0  0  0  0
    3.7947    2.9345   -1.9308 H   0  0  0  0  0
   10.2575    1.4345   -0.5475 H   0  0  0  0  0
    8.5619    1.0277   -0.3551 H   0  0  0  0  0
   10.2089    1.5765    2.1450 H   0  0  0  0  0
    8.0333   -0.5817    1.4913 H   0  0  0  0  0
    8.7321   -0.2077    3.1205 H   0  0  0  0  0
    9.4900   -1.2208   -0.4054 H   0  0  0  0  0
   10.3002   -2.4749    0.5346 H   0  0  0  0  0
   11.2566   -1.2139   -0.2704 H   0  0  0  0  0
   11.2621   -0.2533    3.4213 H   0  0  0  0  0
   12.3284   -0.7218    2.0875 H   0  0  0  0  0
   11.2672   -1.9271    2.8466 H   0  0  0  0  0
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   13.2497    5.0919    0.4364 H   0  0  0  0  0
    9.5228    7.2589    0.0304 H   0  0  0  0  0
   13.8470    8.3759   -0.0901 H   0  0  0  0  0
    5.8448   -0.7291    2.8559 H   0  0  0  0  0
    4.5183   -2.7443    3.4142 H   0  0  0  0  0
    2.4339   -3.2485    2.1888 H   0  0  0  0  0
    1.6234   -1.7395    0.3982 H   0  0  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
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  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
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M  END

>  <Chemical Name>
1-[(2,2-Dimethylcyclopropyl)methyl]-2-(9-ethyl-9H-carbazol-3-yl)-1H-benzimidazole-5-carboxylic acid

>  <PubChem CID>
122420943

>  <Formula>
C28H27N3O2

>  <Molecular Weight>
437.543000

>  <IUPAC Name>
1-[(2,2-dimethylcyclopropyl)methyl]-2-(9-ethylcarbazol-3-yl)benzimidazole-5-carboxylic acid

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3CC5CC5(C)C)C=CC(=C4)C(=O)O)C6=CC=CC=C61

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3CC5CC5(C)C)C=CC(=C4)C(=O)O)C6=CC=CC=C61

>  <InChI Std. ID>
InChI=1S/C28H27N3O2/c1-4-30-23-8-6-5-7-20(23)21-13-17(9-11-24(21)30)26-29-22-14-18(27(32)33)10-12-25(22)31(26)16-19-15-28(19,2)3/h5-14,19H,4,15-16H2,1-3H3,(H,32,33)

>  <InChI Key>
ANNBMWKEZQOIED-UHFFFAOYSA-N

