
 CHEMBL418296

 61 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL418296

>  <PubChem CID>
12891510

>  <Formula>
C27H30N4

>  <Molecular Weight>
410.565000

>  <IUPAC Name>
1-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CCC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H30N4/c1-3-9-22(10-4-1)15-18-30-19-16-24(17-20-30)28-27-29-25-13-7-8-14-26(25)31(27)21-23-11-5-2-6-12-23/h1-14,24H,15-21H2,(H,28,29)

>  <InChI Key>
BVBWQMAIZMFKRW-UHFFFAOYSA-N

