1,3-bis[4-(3,5-diethylphenyl)butyl]-5-(phenylmethyl)benzimidazol-2-imine hydroiodide

Systemtic Name: 1,3-bis[4-(3,5-diethylphenyl)butyl]-5-(phenylmethyl)benzimidazol-2-imine hydroiodide Openeye Name: 5-benzyl-1,3-bis[4-(3,5-diethylphenyl)butyl]benzimidazol-2-imine hydroiodide CAS Name: 1,3-bis[4-(3,5-diethylphenyl)butyl]-5-(phenylmethyl)-2-benzimidazolimine hydroiodide IUPAC Name: 5-benzyl-1,3-bis[4-(3,5-diethylphenyl)butyl]benzimidazol-2-imine hydroiodide Traditional Name: [5-benzyl-1,3-bis[4-(3,5-diethylphenyl)butyl]benzimidazol-2-ylidene]amine hydroiodide Formula: C42H54IN3 MolecularWeight: 727.80273

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CCCCN2C3=C(C=C(C=C3)CC4=CC=CC=C4)N(C2=N)CCCCC5=CC(=CC(=C5)CC)CC)CC.I

Isomeric SMILES

CCC1=CC(=CC(=C1)CCCCN2C3=C(C=C(C=C3)CC4=CC=CC=C4)N(C2=N)CCCCC5=CC(=CC(=C5)CC)CC)CC.I

InChI

InChI=1S/C42H53N3.HI/c1-5-32-24-33(6-2)27-37(26-32)18-12-14-22-44-40-21-20-39(30-36-16-10-9-11-17-36)31-41(40)45(42(44)43)23-15-13-19-38-28-34(7-3)25-35(8-4)29-38;/h9-11,16-17,20-21,24-29,31,43H,5-8,12-15,18-19,22-23,30H2,1-4H3;1H