
 3-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one

 49 52  0  0  0  0  0  0  0  0999 V2000
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   -3.1650   -1.1470    4.1938 C   0  0  0  0  0
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M  END

>  <Chemical Name>
3-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one

>  <PubChem CID>
127941

>  <Formula>
C20H21F3N4O

>  <Molecular Weight>
390.410000

>  <IUPAC Name>
3-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H21F3N4O/c21-20(22,23)15-5-7-16(8-6-15)26-12-9-25(10-13-26)11-14-27-18-4-2-1-3-17(18)24-19(27)28/h1-8H,9-14H2,(H,24,28)

>  <InChI Key>
CCIZQGRSEAHATK-UHFFFAOYSA-N

