
 Tetrahydro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione

 48 51  0  0  0  0  0  0  0  0999 V2000
    4.6519    1.5853    0.6180 C   0  0  0  0  0
    4.1215    1.6198    2.0572 C   0  0  0  0  0
    4.5533    0.2881    2.6617 C   0  0  0  0  0
    3.4898   -0.7926    2.7693 C   0  0  0  0  0
    2.4269   -0.6642    3.3608 O   0  0  0  0  0
    3.9292   -1.8848    2.0750 N   0  0  0  0  0
    4.9930   -1.5409    1.2906 C   0  0  0  0  0
    5.4043   -2.1577    0.3179 O   0  0  0  0  0
    5.4619   -0.2914    1.6975 N   0  0  0  0  0
    5.8741    0.6798    0.7099 C   0  0  0  0  0
    3.1598   -3.0878    1.8863 C   0  0  0  0  0
    3.5500   -4.1013    2.8783 N   0  0  0  0  0
    2.6662   -5.2853    2.7813 C   0  0  0  0  0
    2.8243   -6.1432    1.4989 C   0  0  0  0  0
    4.2391   -6.4979    1.2256 N   0  0  0  0  0
    5.1961   -5.3805    1.4025 C   0  0  0  0  0
    4.9355   -4.5904    2.7021 C   0  0  0  0  0
    4.4481   -7.3505    0.1211 C   0  0  0  0  0
    3.6323   -8.4750   -0.0918 C   0  0  0  0  0
    3.8235   -9.3426   -1.1744 C   0  0  0  0  0
    4.8593   -9.1211   -2.0739 C   0  0  0  0  0
    5.7161   -8.0342   -1.8889 C   0  0  0  0  0
    5.5010   -7.1701   -0.7952 C   0  0  0  0  0
    6.8653   -7.7706   -2.8282 C   0  0  0  0  0
    6.7797   -6.5518   -3.4305 F   0  0  0  0  0
    8.0719   -7.7895   -2.1957 F   0  0  0  0  0
    6.9635   -8.6779   -3.8406 F   0  0  0  0  0
    3.8976    1.1327   -0.0373 H   0  0  0  0  0
    4.8914    2.5789    0.2294 H   0  0  0  0  0
    3.0413    1.7887    2.0919 H   0  0  0  0  0
    4.6082    2.4400    2.5986 H   0  0  0  0  0
    5.0646    0.4039    3.6221 H   0  0  0  0  0
    6.7360    1.2228    1.1108 H   0  0  0  0  0
    6.1342    0.2231   -0.2489 H   0  0  0  0  0
    3.2712   -3.4367    0.8544 H   0  0  0  0  0
    2.1029   -2.8331    2.0320 H   0  0  0  0  0
    1.6179   -4.9791    2.8870 H   0  0  0  0  0
    2.8685   -5.9257    3.6510 H   0  0  0  0  0
    2.2134   -7.0380    1.6549 H   0  0  0  0  0
    2.4087   -5.6034    0.6390 H   0  0  0  0  0
    6.2186   -5.7726    1.4676 H   0  0  0  0  0
    5.1414   -4.7054    0.5420 H   0  0  0  0  0
    5.1696   -5.2427    3.5549 H   0  0  0  0  0
    5.6515   -3.7651    2.7817 H   0  0  0  0  0
    2.8377   -8.7233    0.6054 H   0  0  0  0  0
    3.1660  -10.1991   -1.3013 H   0  0  0  0  0
    5.0019   -9.8047   -2.9087 H   0  0  0  0  0
    6.1892   -6.3336   -0.6940 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 48  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
Tetrahydro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione

>  <PubChem CID>
10714911

>  <Formula>
C18H21F3N4O2

>  <Molecular Weight>
382.387000

>  <IUPAC Name>
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC2C(=O)N(C(=O)N2C1)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CC2C(=O)N(C(=O)N2C1)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C18H21F3N4O2/c19-18(20,21)13-3-1-4-14(11-13)23-9-7-22(8-10-23)12-25-16(26)15-5-2-6-24(15)17(25)27/h1,3-4,11,15H,2,5-10,12H2

>  <InChI Key>
ACGLKDBLGXFWDN-UHFFFAOYSA-N

