
 CHEMBL1085434

 51 54  0  0  0  0  0  0  0  0999 V2000
   10.7757   -7.9550    2.5275 C   0  0  0  0  0
   10.5199   -6.7659    1.8482 C   0  0  0  0  0
    9.3973   -6.6584    1.0254 C   0  0  0  0  0
    8.5047   -7.7333    0.8888 C   0  0  0  0  0
    8.7791   -8.9269    1.5724 C   0  0  0  0  0
    9.9090   -9.0367    2.3857 C   0  0  0  0  0
    7.2926   -7.6294   -0.0104 C   0  0  0  0  0
    6.3150   -6.5623    0.3526 C   0  0  0  0  0
    6.1777   -5.7131    1.4305 C   0  0  0  0  0
    5.1049   -4.8740    1.2664 N   0  0  0  0  0
    4.5694   -5.2044    0.1107 C   0  0  0  0  0
    5.2546   -6.2466   -0.4625 N   0  0  0  0  0
    3.3760   -4.5851   -0.5358 C   0  0  0  0  0
    2.0555   -5.0927    0.0478 C   0  0  0  0  0
    1.7814   -6.5484   -0.2524 C   0  0  0  0  0
    2.2156   -7.5389    0.6316 C   0  0  0  0  0
    1.9895   -8.8893    0.3520 C   0  0  0  0  0
    1.2968   -9.3007   -0.8023 C   0  0  0  0  0
    0.8571   -8.2910   -1.6747 C   0  0  0  0  0
    1.1120   -6.9362   -1.4165 C   0  0  0  0  0
    1.0013  -10.7393   -1.0285 C   0  0  0  0  0
    0.5240  -11.5025    0.0640 C   0  0  0  0  0
    0.2157  -12.8614   -0.0493 C   0  0  0  0  0
    0.3555  -13.5034   -1.2705 C   0  0  0  0  0
    0.8098  -12.7850   -2.3726 C   0  0  0  0  0
    1.1365  -11.4168   -2.2614 C   0  0  0  0  0
    1.6846  -10.7669   -3.4754 C   0  0  0  0  0
    2.6152   -9.9876   -3.5439 O   0  0  0  0  0
    1.0034  -11.1380   -4.5755 O   0  0  0  0  0
   11.6508   -8.0391    3.1662 H   0  0  0  0  0
   11.1939   -5.9205    1.9588 H   0  0  0  0  0
    9.2135   -5.7240    0.4985 H   0  0  0  0  0
    8.1153   -9.7830    1.4744 H   0  0  0  0  0
   10.1121   -9.9672    2.9092 H   0  0  0  0  0
    6.7607   -8.5896   -0.0256 H   0  0  0  0  0
    7.6498   -7.4633   -1.0354 H   0  0  0  0  0
    6.8039   -5.6504    2.3121 H   0  0  0  0  0
    5.0049   -6.7041   -1.3295 H   0  0  0  0  0
    3.4052   -4.7507   -1.6197 H   0  0  0  0  0
    3.4328   -3.5000   -0.3833 H   0  0  0  0  0
    1.2326   -4.4909   -0.3596 H   0  0  0  0  0
    2.0286   -4.9328    1.1338 H   0  0  0  0  0
    2.7425   -7.2658    1.5453 H   0  0  0  0  0
    2.3599   -9.6247    1.0640 H   0  0  0  0  0
    0.2999   -8.5428   -2.5744 H   0  0  0  0  0
    0.7677   -6.1892   -2.1284 H   0  0  0  0  0
    0.3757  -11.0302    1.0349 H   0  0  0  0  0
   -0.1375  -13.4107    0.8200 H   0  0  0  0  0
    0.1153  -14.5590   -1.3660 H   0  0  0  0  0
    0.9241  -13.3003   -3.3247 H   0  0  0  0  0
    1.4418  -10.6543   -5.3063 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 25 26  2  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1085434

>  <PubChem CID>
46881416

>  <Formula>
C25H22N2O2

>  <Molecular Weight>
382.463000

>  <IUPAC Name>
2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CC2=CN=C(N2)CCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CC2=CN=C(N2)CCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

>  <InChI Std. ID>
InChI=1S/C25H22N2O2/c28-25(29)23-9-5-4-8-22(23)20-13-10-18(11-14-20)12-15-24-26-17-21(27-24)16-19-6-2-1-3-7-19/h1-11,13-14,17H,12,15-16H2,(H,26,27)(H,28,29)

>  <InChI Key>
ANHWCAHXALYTNY-UHFFFAOYSA-N

