
 SCHEMBL602163

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL602163

>  <PubChem CID>
11751419

>  <Formula>
C26H35ClN4O

>  <Molecular Weight>
455.043000

>  <IUPAC Name>
1-[3-[4-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chlorophenoxy]propyl]-N,N-dimethylpyrrolidin-3-amine

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)OCCCN4CCC(C4)N(C)C)Cl

>  <Isomeric SMILES>
CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)OCCCN4CCC(C4)N(C)C)Cl

>  <InChI Std. ID>
InChI=1S/C26H35ClN4O/c1-26(2,3)19-8-9-22-23(16-19)29-25(28-22)18-7-10-24(21(27)15-18)32-14-6-12-31-13-11-20(17-31)30(4)5/h7-10,15-16,20H,6,11-14,17H2,1-5H3,(H,28,29)

>  <InChI Key>
AADBANJKFIORNE-UHFFFAOYSA-N

