1,3-bis[2-(4-tert-butyl-3-fluoranyl-phenyl)ethyl]benzimidazol-2-imine hydrobromide

Systemtic Name: 1,3-bis[2-(4-tert-butyl-3-fluoranyl-phenyl)ethyl]benzimidazol-2-imine hydrobromide Openeye Name: 1,3-bis[2-(4-tert-butyl-3-fluoro-phenyl)ethyl]benzimidazol-2-imine hydrobromide CAS Name: 1,3-bis[2-(4-tert-butyl-3-fluorophenyl)ethyl]-2-benzimidazolimine hydrobromide IUPAC Name: 1,3-bis[2-(4-tert-butyl-3-fluorophenyl)ethyl]benzimidazol-2-imine hydrobromide Traditional Name: [1,3-bis[2-(4-tert-butyl-3-fluoro-phenyl)ethyl]benzimidazol-2-ylidene]amine hydrobromide Formula: C31H38BrF2N3 MolecularWeight: 570.554326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCN2C3=CC=CC=C3N(C2=N)CCC4=CC(=C(C=C4)C(C)(C)C)F)F.Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCN2C3=CC=CC=C3N(C2=N)CCC4=CC(=C(C=C4)C(C)(C)C)F)F.Br

InChI

InChI=1S/C31H37F2N3.BrH/c1-30(2,3)23-13-11-21(19-25(23)32)15-17-35-27-9-7-8-10-28(27)36(29(35)34)18-16-22-12-14-24(26(33)20-22)31(4,5)6;/h7-14,19-20,34H,15-18H2,1-6H3;1H