
 CHEMBL1173436

 52 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1173436

>  <PubChem CID>
49799695

>  <Formula>
C22H24N4O2

>  <Molecular Weight>
376.460000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC2=C1C(=CN2)CN3CCC(CC3)N4C5=CC=CC=C5NC4=O

>  <Isomeric SMILES>
COC1=CC=CC2=C1C(=CN2)CN3CCC(CC3)N4C5=CC=CC=C5NC4=O

>  <InChI Std. ID>
InChI=1S/C22H24N4O2/c1-28-20-8-4-6-18-21(20)15(13-23-18)14-25-11-9-16(10-12-25)26-19-7-3-2-5-17(19)24-22(26)27/h2-8,13,16,23H,9-12,14H2,1H3,(H,24,27)

>  <InChI Key>
AIJCIPNKOAOKBN-UHFFFAOYSA-N

