
 CHEMBL349328

 94 99  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL349328

>  <PubChem CID>
9987422

>  <Formula>
C38H49IN4O2

>  <Molecular Weight>
720.740000

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

>  <XlogP>
8.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)CCCOC2=CC=CC3=C2N=C(N3CCCC4CCN(CC4)CCC5=CC=C(C=C5)I)COC6=CC=CC=C6

>  <Isomeric SMILES>
C1CCN(CC1)CCCOC2=CC=CC3=C2N=C(N3CCCC4CCN(CC4)CCC5=CC=C(C=C5)I)COC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C38H49IN4O2/c39-33-17-15-32(16-18-33)21-28-42-26-19-31(20-27-42)10-8-25-43-35-13-7-14-36(44-29-9-24-41-22-5-2-6-23-41)38(35)40-37(43)30-45-34-11-3-1-4-12-34/h1,3-4,7,11-18,31H,2,5-6,8-10,19-30H2

>  <InChI Key>
AKUPTCFWDTYGOJ-UHFFFAOYSA-N

