
 CHEMBL2315675

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2315675

>  <PubChem CID>
71718588

>  <Formula>
C25H31FN4O

>  <Molecular Weight>
422.548000

>  <IUPAC Name>
3-[3-fluoro-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1CN2CCC(CC2)N3CCC(C(C3)F)N4C5=CC=CC=C5NC4=O

>  <Isomeric SMILES>
CC1=CC=CC=C1CN2CCC(CC2)N3CCC(C(C3)F)N4C5=CC=CC=C5NC4=O

>  <InChI Std. ID>
InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31)

>  <InChI Key>
UVNVDXZOLDWJKU-UHFFFAOYSA-N

