
 CHEMBL1223222

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.5686   -0.1819    2.1927 C   0  0  0  0  0
    2.9896   -0.0832    0.7247 C   0  0  0  0  0
    1.9218   -0.7031   -0.1820 C   0  0  0  0  0
    3.3364    1.3539    0.3744 C   0  0  0  0  0
    4.6627    1.7915    0.5115 C   0  0  0  0  0
    5.0160    3.1175    0.2384 C   0  0  0  0  0
    4.0549    4.0351   -0.1945 C   0  0  0  0  0
    2.7267    3.6083   -0.3064 C   0  0  0  0  0
    2.3697    2.2853   -0.0250 C   0  0  0  0  0
    4.3784    5.4370   -0.4739 C   0  0  0  0  0
    3.6965    6.4549    0.0194 N   0  0  0  0  0
    4.2576    7.5967   -0.4947 C   0  0  0  0  0
    3.8812    8.9429   -0.2822 C   0  0  0  0  0
    4.6254    9.9222   -0.9754 C   0  0  0  0  0
    5.6899    9.5837   -1.8147 C   0  0  0  0  0
    6.0566    8.2526   -2.0182 C   0  0  0  0  0
    5.3135    7.2801   -1.3408 C   0  0  0  0  0
    5.3650    5.9001   -1.3251 N   0  0  0  0  0
    6.2309    5.1079   -2.1747 C   0  0  0  0  0
    7.6606    5.0204   -1.6530 C   0  0  0  0  0
    8.4217    4.2056   -2.5472 O   0  0  0  0  0
    9.7585    4.0321   -2.0942 C   0  0  0  0  0
    2.6986    9.3018    0.5994 C   0  0  0  0  0
    2.9004   10.5705    1.4325 C   0  0  0  0  0
    1.4266    9.4074   -0.2450 C   0  0  0  0  0
    3.3585    0.1897    2.8552 H   0  0  0  0  0
    2.3644   -1.2219    2.4692 H   0  0  0  0  0
    1.6650    0.4051    2.3925 H   0  0  0  0  0
    3.8956   -0.6900    0.5914 H   0  0  0  0  0
    0.9386   -0.2432   -0.0356 H   0  0  0  0  0
    1.8147   -1.7725    0.0314 H   0  0  0  0  0
    2.1920   -0.5978   -1.2383 H   0  0  0  0  0
    5.4327    1.1027    0.8535 H   0  0  0  0  0
    6.0439    3.4243    0.3999 H   0  0  0  0  0
    1.9553    4.3177   -0.6026 H   0  0  0  0  0
    1.3228    2.0056   -0.1087 H   0  0  0  0  0
    4.3694   10.9744   -0.8739 H   0  0  0  0  0
    6.2352   10.3729   -2.3285 H   0  0  0  0  0
    6.8735    7.9976   -2.6843 H   0  0  0  0  0
    6.2195    5.5562   -3.1761 H   0  0  0  0  0
    5.8012    4.1093   -2.3037 H   0  0  0  0  0
    7.6833    4.5822   -0.6499 H   0  0  0  0  0
    8.1155    6.0160   -1.5990 H   0  0  0  0  0
   10.2989    3.4395   -2.8372 H   0  0  0  0  0
    9.7696    3.4933   -1.1420 H   0  0  0  0  0
   10.2578    4.9997   -1.9870 H   0  0  0  0  0
    2.5548    8.4818    1.3157 H   0  0  0  0  0
    2.9313   11.4716    0.8109 H   0  0  0  0  0
    3.8320   10.5211    2.0065 H   0  0  0  0  0
    2.0752   10.6951    2.1425 H   0  0  0  0  0
    1.5029   10.2082   -0.9891 H   0  0  0  0  0
    0.5567    9.6149    0.3872 H   0  0  0  0  0
    1.2321    8.4724   -0.7827 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 25 51  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1223222

>  <PubChem CID>
49865337

>  <Formula>
C22H28N2O

>  <Molecular Weight>
336.479000

>  <IUPAC Name>
1-(2-methoxyethyl)-4-propan-2-yl-2-(4-propan-2-ylphenyl)benzimidazole

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2CCOC)C(C)C

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2CCOC)C(C)C

>  <InChI Std. ID>
InChI=1S/C22H28N2O/c1-15(2)17-9-11-18(12-10-17)22-23-21-19(16(3)4)7-6-8-20(21)24(22)13-14-25-5/h6-12,15-16H,13-14H2,1-5H3

>  <InChI Key>
ATQVFYJQUOHYPA-UHFFFAOYSA-N

