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

C69H55F18N15O5 — CID 157412773

IUPAC2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(N)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc(NC(=O)c2ccccc2F)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2ccccc2F)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1.Cc1ncc(C(F)(F)F)[nH]1.O=[N+]([O-])c1ccc(F)cc1
InChIInChI=1S/C18H13F4N3O.C18H15F4N3.C11H8F3N3O2.C11H10F3N3.C6H4FNO2.C5H5F3N2/c1-11-23-16(18(20,21)22)10-25(11)13-8-6-12(7-9-13)24-17(26)14-4-2-3-5-15(14)19;1-12-24-17(18(20,21)22)11-25(12)15-8-6-14(7-9-15)23-10-13-4-2-3-5-16(13)19;1-7-15-10(11(12,13)14)6-16(7)8-2-4-9(5-3-8)17(18)19;1-7-16-10(11(12,13)14)6-17(7)9-4-2-8(15)3-5-9;7-5-1-3-6(4-2-5)8(9)10;1-3-9-2-4(10-3)5(6,7)8/h2-10H,1H3,(H,24,26);2-9,11,23H,10H2,1H3;2-6H,1H3;2-6H,15H2,1H3;1-4H;2H,1H3,(H,9,10)
InChIKeyBOMBTOALTNDDNA-UHFFFAOYSA-N
MW1516.26 g/mol
LogP18.90
Rot. Bonds11

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

2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline (PubChem CID 157412773) has the molecular formula C69H55F18N15O5 and a molecular weight of 1516.26 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline
PubChem CID157412773
Molecular FormulaC69H55F18N15O5
Molecular Weight1516.26 g/mol
Exact Mass1515.42
IUPAC Name2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(N)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc(NC(=O)c2ccccc2F)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2ccccc2F)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1.Cc1ncc(C(F)(F)F)[nH]1.O=[N+]([O-])c1ccc(F)cc1
InChIInChI=1S/C18H13F4N3O.C18H15F4N3.C11H8F3N3O2.C11H10F3N3.C6H4FNO2.C5H5F3N2/c1-11-23-16(18(20,21)22)10-25(11)13-8-6-12(7-9-13)24-17(26)14-4-2-3-5-15(14)19;1-12-24-17(18(20,21)22)11-25(12)15-8-6-14(7-9-15)23-10-13-4-2-3-5-16(13)19;1-7-15-10(11(12,13)14)6-16(7)8-2-4-9(5-3-8)17(18)19;1-7-16-10(11(12,13)14)6-17(7)9-4-2-8(15)3-5-9;7-5-1-3-6(4-2-5)8(9)10;1-3-9-2-4(10-3)5(6,7)8/h2-10H,1H3,(H,24,26);2-9,11,23H,10H2,1H3;2-6H,1H3;2-6H,15H2,1H3;1-4H;2H,1H3,(H,9,10)
InChIKeyBOMBTOALTNDDNA-UHFFFAOYSA-N
XLogP18.90
TPSA253.39 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001516.26
LogP ≤ 518.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[(2,3,6-trifluorophenyl)methyl]aniline;2,3,6-trifluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide
CID 157523319
3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]aniline;2,4,6-trifluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide
CID 158135714
3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[(2,3,6-trifluorophenyl)methyl]aniline;2,3,6-trifluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide
CID 158887364
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
1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)
CID 159887911
1-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-fluorophenyl]-3-[4-methyl-3-[2-[1-methyl-2-(5-methyl-1H-imidazol-2-yl)imidazol-4-yl]ethynyl]phenyl]urea;1-[3-[2-[2-(1H-imidazol-2-yl)-1-methylimidazol-4-yl]ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[1-methyl-2-(5-methyl-1H-imidazol-2-yl)imidazol-4-yl]ethynyl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-[2-[1-methyl-2-(5-methyl-1H-imidazol-2-yl)imidazol-4-yl]ethynyl]phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[2-[1-methyl-2-(5-nitro-1H-imidazol-2-yl)imidazol-4-yl]ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 160276788
2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;methane;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline
CID 160291895
2,6-difluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline
CID 160310548
5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyridin-2-amine;2-methyl-5-(trifluoromethyl)-1H-imidazole;5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-nitropyridine;5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyridin-2-amine
CID 160374070
4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]aniline;2,4,6-trifluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide
CID 160697120
2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine;4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]aniline
CID 160903450
2,6-difluoro-N-[3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline
CID 162057916

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline?
The IUPAC name of 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline (CID 157412773) is 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline.
What is the SMILES notation for 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline?
The canonical SMILES for 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline is Cc1nc(C(F)(F)F)cn1-c1ccc(N)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc(NC(=O)c2ccccc2F)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc(NCc2ccccc2F)cc1.Cc1nc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1.Cc1ncc(C(F)(F)F)[nH]1.O=[N+]([O-])c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline?
The InChIKey is BOMBTOALTNDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O.C18H15F4N3.C11H8F3N3O2.C11H10F3N3.C6H4FNO2.C5H5F3N2/c1-11-23-16(18(20,21)22)10-25(11)13-8-6-12(7-9-13)24-17(26)14-4-2-3-5-15(14)19;1-12-24-17(18(20,21)22)11-25(12)15-8-6-14(7-9-15)23-10-13-4-2-3-5-16(13)19;1-7-15-10(11(12,13)14)6-16(7)8-2-4-9(5-3-8)17(18)19;1-7-16-10(11(12,13)14)6-17(7)9-4-2-8(15)3-5-9;7-5-1-3-6(4-2-5)8(9)10;1-3-9-2-4(10-3)5(6,7)8/h2-10H,1H3,(H,24,26);2-9,11,23H,10H2,1H3;2-6H,1H3;2-6H,15H2,1H3;1-4H;2H,1H3,(H,9,10).
What are the key properties of 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline?
2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline has a molecular weight of 1516.26 g/mol, XLogP of 18.90, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]benzamide;1-fluoro-4-nitrobenzene;N-[(2-fluorophenyl)methyl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline;2-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)imidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]aniline is sourced from PubChem (CID 157412773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).