
 CHEMBL347804

 85 89  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL347804

>  <PubChem CID>
44372777

>  <Formula>
C33H46N4O2

>  <Molecular Weight>
530.757000

>  <IUPAC Name>
2-(phenoxymethyl)-4-(3-piperidin-1-ylpropoxy)-1-[3-(1-prop-2-enylpiperidin-4-yl)propyl]benzimidazole

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C=CCN1CCC(CC1)CCCN2C3=C(C(=CC=C3)OCCCN4CCCCC4)N=C2COC5=CC=CC=C5

>  <Isomeric SMILES>
C=CCN1CCC(CC1)CCCN2C3=C(C(=CC=C3)OCCCN4CCCCC4)N=C2COC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C33H46N4O2/c1-2-19-35-24-17-28(18-25-35)12-10-23-37-30-15-9-16-31(38-26-11-22-36-20-7-4-8-21-36)33(30)34-32(37)27-39-29-13-5-3-6-14-29/h2-3,5-6,9,13-16,28H,1,4,7-8,10-12,17-27H2

>  <InChI Key>
BORZPXOQYANRKH-UHFFFAOYSA-N

