
 CHEMBL555009

 40 42  0  0  0  0  0  0  0  0999 V2000
    4.1158    3.0830    2.6001 C   0  0  0  0  0
    4.4678    1.8344    1.9003 N   0  0  0  0  0
    3.4112    0.8405    2.2049 C   0  0  0  0  0
    3.6334   -0.5278    1.5979 C   0  0  0  0  0
    4.7451   -1.3027    1.9569 C   0  0  0  0  0
    4.9424   -2.5620    1.3871 C   0  0  0  0  0
    4.0311   -3.0590    0.4561 C   0  0  0  0  0
    2.9207   -2.2996    0.0944 C   0  0  0  0  0
    2.7207   -1.0416    0.6635 C   0  0  0  0  0
    4.5629    2.0607    0.4416 C   0  0  0  0  0
    5.7098    2.9345    0.0754 C   0  0  0  0  0
    5.9195    3.7935   -0.9766 C   0  0  0  0  0
    7.1274    4.4285   -0.8515 N   0  0  0  0  0
    7.6760    3.9744    0.2640 C   0  0  0  0  0
    6.8708    3.0014    0.8059 N   0  0  0  0  0
    8.9310    4.4529    0.8587 C   0  0  0  0  0
    9.6519    5.4666    0.2032 C   0  0  0  0  0
   10.8302    5.9816    0.7495 C   0  0  0  0  0
   11.2950    5.4826    1.9575 C   0  0  0  0  0
   10.6065    4.4776    2.6255 C   0  0  0  0  0
    9.4264    3.9622    2.0777 C   0  0  0  0  0
   12.4195    5.9780    2.4900 F   0  0  0  0  0
    4.8888    3.8492    2.4850 H   0  0  0  0  0
    4.0331    2.9042    3.6785 H   0  0  0  0  0
    3.1656    3.5012    2.2475 H   0  0  0  0  0
    2.4283    1.2240    1.8982 H   0  0  0  0  0
    3.3553    0.6938    3.2925 H   0  0  0  0  0
    5.4648   -0.9212    2.6778 H   0  0  0  0  0
    5.8086   -3.1554    1.6675 H   0  0  0  0  0
    4.1874   -4.0380    0.0108 H   0  0  0  0  0
    2.2106   -2.6858   -0.6321 H   0  0  0  0  0
    1.8496   -0.4615    0.3681 H   0  0  0  0  0
    3.6286    2.4840    0.0505 H   0  0  0  0  0
    4.7314    1.1133   -0.0841 H   0  0  0  0  0
    5.2581    4.0065   -1.8064 H   0  0  0  0  0
    7.0317    2.4846    1.6577 H   0  0  0  0  0
    9.2850    5.8667   -0.7415 H   0  0  0  0  0
   11.3776    6.7683    0.2410 H   0  0  0  0  0
   10.9884    4.1052    3.5708 H   0  0  0  0  0
    8.9077    3.1834    2.6283 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL555009

>  <PubChem CID>
10266510

>  <Formula>
C18H18FN3

>  <Molecular Weight>
295.361000

>  <IUPAC Name>
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C18H18FN3/c1-22(12-14-5-3-2-4-6-14)13-17-11-20-18(21-17)15-7-9-16(19)10-8-15/h2-11H,12-13H2,1H3,(H,20,21)

>  <InChI Key>
YWSGSLZFSCOIGQ-UHFFFAOYSA-N

