
 CHEMBL3818805

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3818805

>  <PubChem CID>
127052487

>  <Formula>
C24H27ClN4O

>  <Molecular Weight>
422.957000

>  <IUPAC Name>
6-chloro-3-[1-[4-(1H-indol-3-yl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCCC4=CNC5=CC=CC=C54

>  <Isomeric SMILES>
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCCC4=CNC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)

>  <InChI Key>
ADUYXHYSTCIMEO-UHFFFAOYSA-N

