
 SCHEMBL2683101

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M  END

>  <Chemical Name>
SCHEMBL2683101

>  <PubChem CID>
54577014

>  <Formula>
C28H39Cl2N5O

>  <Molecular Weight>
532.554000

>  <IUPAC Name>
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-phenyl-2-propylimidazole-4-carboxamide;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC1=NC(=CN1C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC(=C4C)C.Cl.Cl

>  <Isomeric SMILES>
CCCC1=NC(=CN1C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC(=C4C)C.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C28H37N5O.2ClH/c1-4-10-27-30-25(21-33(27)24-12-6-5-7-13-24)28(34)29-15-9-16-31-17-19-32(20-18-31)26-14-8-11-22(2)23(26)3;;/h5-8,11-14,21H,4,9-10,15-20H2,1-3H3,(H,29,34);2*1H

>  <InChI Key>
AJQXITCKVIMUJA-UHFFFAOYSA-N

