
 CHEMBL274749

 37 39  0  0  0  0  0  0  0  0999 V2000
   -3.2658    2.7143    3.2630 C   0  0  0  0  0
   -3.5759    2.6914    4.6262 C   0  0  0  0  0
   -3.6674    1.4760    5.2951 C   0  0  0  0  0
   -3.4507    0.2822    4.6112 C   0  0  0  0  0
   -3.1444    0.3049    3.2468 C   0  0  0  0  0
   -3.0593    1.5210    2.5484 C   0  0  0  0  0
   -2.6592    1.5014    1.0861 C   0  0  0  0  0
   -3.2121    2.6071    0.3168 N   0  0  0  0  0
   -2.5489    3.7859    0.0368 C   0  0  0  0  0
   -3.4905    4.5523   -0.6431 C   0  0  0  0  0
   -3.1658    5.8521   -1.0519 C   0  0  0  0  0
   -1.8909    6.3298   -0.7567 C   0  0  0  0  0
   -0.9522    5.5554   -0.0814 C   0  0  0  0  0
   -1.2622    4.2562    0.3339 C   0  0  0  0  0
   -1.5583    7.5734   -1.1289 F   0  0  0  0  0
   -4.6619    3.8606   -0.8019 N   0  0  0  0  0
   -4.4746    2.6840   -0.2354 C   0  0  0  0  0
   -5.5013    1.5933   -0.1822 C   0  0  0  0  0
   -6.3518    1.5443   -1.4503 C   0  0  0  0  0
   -5.5376    1.1206   -2.6427 C   0  0  0  0  0
   -4.4676    0.5323   -2.6286 O   0  0  0  0  0
   -6.1601    1.3901   -3.8057 O   0  0  0  0  0
   -4.0376    1.4484    6.9734 Cl  0  0  0  0  0
   -3.1905    3.6852    2.7771 H   0  0  0  0  0
   -3.7379    3.6270    5.1556 H   0  0  0  0  0
   -3.5121   -0.6682    5.1357 H   0  0  0  0  0
   -2.9652   -0.6393    2.7362 H   0  0  0  0  0
   -2.9784    0.5729    0.6011 H   0  0  0  0  0
   -1.5666    1.5379    1.0099 H   0  0  0  0  0
   -3.8853    6.4679   -1.5751 H   0  0  0  0  0
    0.0282    5.9748    0.1262 H   0  0  0  0  0
   -0.5349    3.6566    0.8708 H   0  0  0  0  0
   -6.1544    1.7825    0.6773 H   0  0  0  0  0
   -5.0383    0.6154   -0.0223 H   0  0  0  0  0
   -6.8010    2.5231   -1.6533 H   0  0  0  0  0
   -7.1561    0.8124   -1.3247 H   0  0  0  0  0
   -5.5366    1.0807   -4.4938 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 16  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL274749

>  <PubChem CID>
14953076

>  <Formula>
C17H14ClFN2O2

>  <Molecular Weight>
332.759000

>  <IUPAC Name>
3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]propanoic acid

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=CC=C1CN2C3=C(C=C(C=C3)F)N=C2CCC(=O)O)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1CN2C3=C(C=C(C=C3)F)N=C2CCC(=O)O)Cl

>  <InChI Std. ID>
InChI=1S/C17H14ClFN2O2/c18-12-3-1-11(2-4-12)10-21-15-6-5-13(19)9-14(15)20-16(21)7-8-17(22)23/h1-6,9H,7-8,10H2,(H,22,23)

>  <InChI Key>
AOOOZXBUFXKFSN-UHFFFAOYSA-N

