
 CHEMBL489807

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL489807

>  <PubChem CID>
44579848

>  <Formula>
C29H32N6O2

>  <Molecular Weight>
496.615000

>  <IUPAC Name>
1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-N-propan-2-ylbenzimidazole-2-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)N(CC(=O)N1CCN(CC1)C2=CC=NC=C2)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CC(C)N(CC(=O)N1CCN(CC1)C2=CC=NC=C2)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H32N6O2/c1-22(2)34(21-27(36)33-18-16-32(17-19-33)24-12-14-30-15-13-24)29(37)28-31-25-10-6-7-11-26(25)35(28)20-23-8-4-3-5-9-23/h3-15,22H,16-21H2,1-2H3

>  <InChI Key>
IUXMWEONGIFJKY-UHFFFAOYSA-N

