1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide

C61H56BrF9IN9 — CID 161417430

IUPAC1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide
SMILESC.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.I.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18F3N3.C13H11N.C11H8BrF3N2.C11H10F3N3.2CH4.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;;;/h2-16H,1H3;1-10,14H;2-6H,1H3;2-6H,15H2,1H3;2*1H4;1H
InChIKeyVBLXOEYKJNSIKG-UHFFFAOYSA-N
MW1292.97 g/mol
LogP18.11
Rot. Bonds8

About 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide

1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide (PubChem CID 161417430) has the molecular formula C61H56BrF9IN9 and a molecular weight of 1292.97 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide
PubChem CID161417430
Molecular FormulaC61H56BrF9IN9
Molecular Weight1292.97 g/mol
Exact Mass1291.27
IUPAC Name1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide
SMILESC.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.I.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18F3N3.C13H11N.C11H8BrF3N2.C11H10F3N3.2CH4.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;;;/h2-16H,1H3;1-10,14H;2-6H,1H3;2-6H,15H2,1H3;2*1H4;1H
InChIKeyVBLXOEYKJNSIKG-UHFFFAOYSA-N
XLogP18.11
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001292.97
LogP ≤ 518.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide (CID 161417430) is 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide is 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.I.[H]N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide?
The InChIKey is VBLXOEYKJNSIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3.C13H11N.C11H8BrF3N2.C11H10F3N3.2CH4.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;;;/h2-16H,1H3;1-10,14H;2-6H,1H3;2-6H,15H2,1H3;2*1H4;1H.
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide?
1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide has a molecular weight of 1292.97 g/mol, XLogP of 18.11, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide is sourced from PubChem (CID 161417430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).