1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide

C73H69Br2F13I4N11- — CID 158721917

About 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide

1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide (PubChem CID 158721917) has the molecular formula C73H69Br2F13I4N11- and a molecular weight of 2014.83 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide.

Molecular Properties

• Compound Name: 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide
• PubChem CID: 158721917
• Molecular Formula: C73H69Br2F13I4N11-
• Molecular Weight: 2014.83 g/mol
• Exact Mass: 2012.01
• IUPAC Name: 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide
• SMILES: C.C.C.Cc1cn(-c2cc(Br)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(N=C(c3ccccc3)c3ccccc3)cc(C(F)(F)F)c2)cn1.Cc1cnc[nH]1.Fc1cc(Br)cc(C(F)(F)F)c1.I.I[I-]I.[H]N=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H18F3N3.C13H11N.C11H8BrF3N2.C11H10F3N3.C7H3BrF4.C4H6N2.3CH4.I3.HI/c1-17-15-30(16-28-17)22-13-20(24(25,26)27)12-21(14-22)29-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7-5-17(6-16-7)10-3-8(11(13,14)15)2-9(12)4-10;1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10;8-5-1-4(7(10,11)12)2-6(9)3-5;1-4-2-5-3-6-4;;;;1-3-2;/h2-16H,1H3;1-10,14H;2-6H,1H3;2-6H,15H2,1H3;1-3H;2-3H,1H3,(H,5,6);3*1H4;;1H/q;;;;;;;;;-1
• InChIKey: MQEXVSPJXKMKNP-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 144.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2014.83
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide?

The IUPAC name of 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide (CID 158721917) is 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide.

What is the SMILES notation for 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide?

The canonical SMILES for 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide is C.C.C.Cc1cn(-c2cc(Br)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(N=C(c3ccccc3)c3ccccc3)cc(C(F)(F)F)c2)cn1.Cc1cnc[nH]1.Fc1cc(Br)cc(C(F)(F)F)c1.I.I[I-]I.[H]N=C(c1ccccc1)c1ccccc1.

What is the InChIKey of 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide?

The InChIKey is MQEXVSPJXKMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3.C13H11N.C11H8BrF3N2.C11H10F3N3.C7H3BrF4.C4H6N2.3CH4.I3.HI/c1-17-15-30(16-28-17)22-13-20(24(25,26)27)12-21(14-22)29-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7-5-17(6-16-7)10-3-8(11(13,14)15)2-9(12)4-10;1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10;8-5-1-4(7(10,11)12)2-6(9)3-5;1-4-2-5-3-6-4;;;;1-3-2;/h2-16H,1H3;1-10,14H;2-6H,1H3;2-6H,15H2,1H3;1-3H;2-3H,1H3,(H,5,6);3*1H4;;1H/q;;;;;;;;;-1;.

What are the key properties of 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide?

1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide has a molecular weight of 2014.83 g/mol, XLogP of 21.84, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-fluoro-5-(trifluoromethyl)benzene;1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;triiodide;hydroiodide is sourced from PubChem (CID 158721917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).