1,3-bis[3-[3-(trifluoromethyl)phenyl]propyl]benzimidazol-2-imine hydroiodide

Systemtic Name: 1,3-bis[3-[3-(trifluoromethyl)phenyl]propyl]benzimidazol-2-imine hydroiodide Openeye Name: 1,3-bis[3-[3-(trifluoromethyl)phenyl]propyl]benzimidazol-2-imine hydroiodide CAS Name: 1,3-bis[3-[3-(trifluoromethyl)phenyl]propyl]-2-benzimidazolimine hydroiodide IUPAC Name: 1,3-bis[3-[3-(trifluoromethyl)phenyl]propyl]benzimidazol-2-imine hydroiodide Traditional Name: [1,3-bis[3-[3-(trifluoromethyl)phenyl]propyl]benzimidazol-2-ylidene]amine hydroiodide Formula: C27H26F6IN3 MolecularWeight: 633.410329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=N)N2CCCC3=CC(=CC=C3)C(F)(F)F)CCCC4=CC(=CC=C4)C(F)(F)F.I

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=N)N2CCCC3=CC(=CC=C3)C(F)(F)F)CCCC4=CC(=CC=C4)C(F)(F)F.I

InChI

InChI=1S/C27H25F6N3.HI/c28-26(29,30)21-11-3-7-19(17-21)9-5-15-35-23-13-1-2-14-24(23)36(25(35)34)16-6-10-20-8-4-12-22(18-20)27(31,32)33;/h1-4,7-8,11-14,17-18,34H,5-6,9-10,15-16H2;1H