[1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol

C50H51F13N12O8Si — CID 160734029

IUPAC[1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1.Nc1cc(-n2cnc(CO)c2)cc(C(F)(F)F)c1.O=[N+]([O-])c1cc(-n2cnc(CO)c2)cc(C(F)(F)F)c1.O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1.OCc1cnc[nH]1
InChIInChI=1S/C17H24F3N3OSi.C11H8F3N3O3.C11H10F3N3O.C7H3F4NO2.C4H6N2O/c1-16(2,3)25(4,5)24-10-14-9-23(11-22-14)15-7-12(17(18,19)20)6-13(21)8-15;12-11(13,14)7-1-9(3-10(2-7)17(19)20)16-4-8(5-18)15-6-16;12-11(13,14)7-1-8(15)3-10(2-7)17-4-9(5-18)16-6-17;8-5-1-4(7(9,10)11)2-6(3-5)12(13)14;7-2-4-1-5-3-6-4/h6-9,11H,10,21H2,1-5H3;1-4,6,18H,5H2;1-4,6,18H,5,15H2;1-3H;1,3,7H,2H2,(H,5,6)
InChIKeyRUSFIVXORSVQEZ-UHFFFAOYSA-N
MW1223.09 g/mol
LogP11.91
Rot. Bonds11

About [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol

[1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol (PubChem CID 160734029) has the molecular formula C50H51F13N12O8Si and a molecular weight of 1223.09 g/mol. Its IUPAC name is [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol
PubChem CID160734029
Molecular FormulaC50H51F13N12O8Si
Molecular Weight1223.09 g/mol
Exact Mass1222.35
IUPAC Name[1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1.Nc1cc(-n2cnc(CO)c2)cc(C(F)(F)F)c1.O=[N+]([O-])c1cc(-n2cnc(CO)c2)cc(C(F)(F)F)c1.O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1.OCc1cnc[nH]1
InChIInChI=1S/C17H24F3N3OSi.C11H8F3N3O3.C11H10F3N3O.C7H3F4NO2.C4H6N2O/c1-16(2,3)25(4,5)24-10-14-9-23(11-22-14)15-7-12(17(18,19)20)6-13(21)8-15;12-11(13,14)7-1-9(3-10(2-7)17(19)20)16-4-8(5-18)15-6-16;12-11(13,14)7-1-8(15)3-10(2-7)17-4-9(5-18)16-6-17;8-5-1-4(7(9,10)11)2-6(3-5)12(13)14;7-2-4-1-5-3-6-4/h6-9,11H,10,21H2,1-5H3;1-4,6,18H,5H2;1-4,6,18H,5,15H2;1-3H;1,3,7H,2H2,(H,5,6)
InChIKeyRUSFIVXORSVQEZ-UHFFFAOYSA-N
XLogP11.91
TPSA290.38 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001223.09
LogP ≤ 511.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

1,3-dinitro-5-(trifluoromethyl)benzene;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole
CID 157379598
1-fluoro-3-nitro-5-(trifluoromethyl)benzene;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole;hydroiodide
CID 158821097
1-fluoro-3-nitro-5-(trifluoromethyl)benzene;methane;5-methyl-1H-imidazole;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole;hydroiodide
CID 160649910

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol (CID 160734029) is [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol is CC(C)(C)[Si](C)(C)OCc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1.Nc1cc(-n2cnc(CO)c2)cc(C(F)(F)F)c1.O=[N+]([O-])c1cc(-n2cnc(CO)c2)cc(C(F)(F)F)c1.O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1.OCc1cnc[nH]1.
What is the InChIKey of [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol?
The InChIKey is RUSFIVXORSVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3OSi.C11H8F3N3O3.C11H10F3N3O.C7H3F4NO2.C4H6N2O/c1-16(2,3)25(4,5)24-10-14-9-23(11-22-14)15-7-12(17(18,19)20)6-13(21)8-15;12-11(13,14)7-1-9(3-10(2-7)17(19)20)16-4-8(5-18)15-6-16;12-11(13,14)7-1-8(15)3-10(2-7)17-4-9(5-18)16-6-17;8-5-1-4(7(9,10)11)2-6(3-5)12(13)14;7-2-4-1-5-3-6-4/h6-9,11H,10,21H2,1-5H3;1-4,6,18H,5H2;1-4,6,18H,5,15H2;1-3H;1,3,7H,2H2,(H,5,6).
What are the key properties of [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol?
[1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol has a molecular weight of 1223.09 g/mol, XLogP of 11.91, 11 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol;3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-5-(trifluoromethyl)aniline;1-fluoro-3-nitro-5-(trifluoromethyl)benzene;1H-imidazol-5-ylmethanol;[1-[3-nitro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methanol is sourced from PubChem (CID 160734029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).