
 CHEMBL488983

 63 67  0  0  0  0  0  0  0  0999 V2000
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    5.7280   -1.0902   -7.0262 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL488983

>  <PubChem CID>
24946437

>  <Formula>
C27H28N6O2

>  <Molecular Weight>
468.561000

>  <IUPAC Name>
1-benzyl-N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]benzimidazole-2-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1C2=CC=NC=C2)C(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCN1C2=CC=NC=C2)C(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H28N6O2/c34-25(32-18-16-31(17-19-32)22-10-13-28-14-11-22)12-15-29-27(35)26-30-23-8-4-5-9-24(23)33(26)20-21-6-2-1-3-7-21/h1-11,13-14H,12,15-20H2,(H,29,35)

>  <InChI Key>
MHYUUICKMXQDMA-UHFFFAOYSA-N

