1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole

C69H50F23N15O5 — CID 159753679

About 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole

1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole (PubChem CID 159753679) has the molecular formula C69H50F23N15O5 and a molecular weight of 1606.21 g/mol. Its IUPAC name is 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

• Compound Name: 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole
• PubChem CID: 159753679
• Molecular Formula: C69H50F23N15O5
• Molecular Weight: 1606.21 g/mol
• Exact Mass: 1605.38
• IUPAC Name: 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole
• SMILES: Cc1nc(C(F)(F)F)cn1-c1ccc(N)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc(NC(=O)c2ccccc2F)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2ccccc2F)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1F.Cc1ncc(C(F)(F)F)[nH]1.O=[N+]([O-])c1ccc(F)c(F)c1
• InChI: InChI=1S/C18H12F5N3O.C18H14F5N3.C11H7F4N3O2.C11H9F4N3.C6H3F2NO2.C5H5F3N2/c1-10-24-16(18(21,22)23)9-26(10)15-7-6-11(8-14(15)20)25-17(27)12-4-2-3-5-13(12)19;1-11-25-17(18(21,22)23)10-26(11)16-7-6-13(8-15(16)20)24-9-12-4-2-3-5-14(12)19;1-6-16-10(11(13,14)15)5-17(6)9-3-2-7(18(19)20)4-8(9)12;1-6-17-10(11(13,14)15)5-18(6)9-3-2-7(16)4-8(9)12;7-5-2-1-4(9(10)11)3-6(5)8;1-3-9-2-4(10-3)5(6,7)8/h2-9H,1H3,(H,25,27);2-8,10,24H,9H2,1H3;2-5H,1H3;2-5H,16H2,1H3;1-3H;2H,1H3,(H,9,10)
• InChIKey: NDZASUQPFHXGQU-UHFFFAOYSA-N
• XLogP: 19.60
• TPSA: 253.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1606.21
LogP ≤ 5	19.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole?

The IUPAC name of 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole (CID 159753679) is 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole.

What is the SMILES notation for 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole?

The canonical SMILES for 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole is Cc1nc(C(F)(F)F)cn1-c1ccc(N)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc(NC(=O)c2ccccc2F)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2ccccc2F)cc1F.Cc1nc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1F.Cc1ncc(C(F)(F)F)[nH]1.O=[N+]([O-])c1ccc(F)c(F)c1.

What is the InChIKey of 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole?

The InChIKey is NDZASUQPFHXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O.C18H14F5N3.C11H7F4N3O2.C11H9F4N3.C6H3F2NO2.C5H5F3N2/c1-10-24-16(18(21,22)23)9-26(10)15-7-6-11(8-14(15)20)25-17(27)12-4-2-3-5-13(12)19;1-11-25-17(18(21,22)23)10-26(11)16-7-6-13(8-15(16)20)24-9-12-4-2-3-5-14(12)19;1-6-16-10(11(13,14)15)5-17(6)9-3-2-7(18(19)20)4-8(9)12;1-6-17-10(11(13,14)15)5-18(6)9-3-2-7(16)4-8(9)12;7-5-2-1-4(9(10)11)3-6(5)8;1-3-9-2-4(10-3)5(6,7)8/h2-9H,1H3,(H,25,27);2-8,10,24H,9H2,1H3;2-5H,1H3;2-5H,16H2,1H3;1-3H;2H,1H3,(H,9,10).

What are the key properties of 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole?

1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 1606.21 g/mol, XLogP of 19.60, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-4-nitrobenzene;2-fluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;3-fluoro-N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;1-(2-fluoro-4-nitrophenyl)-2-methyl-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 159753679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).