1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

C92H76F13N13O9S — CID 161281243

IUPAC1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCC(N)c1ncc[nH]1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncn[nH]1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/2C23H18F3N3O2.C22H17F3N4O2.C18H11F3O3.C5H9N3.CH3FS/c2*1-14(21-27-11-12-28-21)29-22(30)16-5-10-19-15(13-16)3-2-4-20(19)31-18-8-6-17(7-9-18)23(24,25)26;1-13(20-26-12-27-29-20)28-21(30)15-5-10-18-14(11-15)3-2-4-19(18)31-17-8-6-16(7-9-17)22(23,24)25;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-4(6)5-7-2-3-8-5;1-3-2/h2*2-14H,1H3,(H,27,28)(H,29,30);2-13H,1H3,(H,28,30)(H,26,27,29);1-10H,(H,22,23);2-4H,6H2,1H3,(H,7,8);1H3/t14-;;13-;;;/m1.0.../s1
InChIKeyVFCOYLYZLFXDFX-MDCGZBDXSA-N
MW1786.74 g/mol
LogP24.00
Rot. Bonds19

About 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (PubChem CID 161281243) has the molecular formula C92H76F13N13O9S and a molecular weight of 1786.74 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
PubChem CID161281243
Molecular FormulaC92H76F13N13O9S
Molecular Weight1786.74 g/mol
Exact Mass1785.54
IUPAC Name1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCC(N)c1ncc[nH]1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncn[nH]1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/2C23H18F3N3O2.C22H17F3N4O2.C18H11F3O3.C5H9N3.CH3FS/c2*1-14(21-27-11-12-28-21)29-22(30)16-5-10-19-15(13-16)3-2-4-20(19)31-18-8-6-17(7-9-18)23(24,25)26;1-13(20-26-12-27-29-20)28-21(30)15-5-10-18-14(11-15)3-2-4-19(18)31-17-8-6-16(7-9-17)22(23,24)25;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-4(6)5-7-2-3-8-5;1-3-2/h2*2-14H,1H3,(H,27,28)(H,29,30);2-13H,1H3,(H,28,30)(H,26,27,29);1-10H,(H,22,23);2-4H,6H2,1H3,(H,7,8);1H3/t14-;;13-;;;/m1.0.../s1
InChIKeyVFCOYLYZLFXDFX-MDCGZBDXSA-N
XLogP24.00
TPSA315.15 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001786.74
LogP ≤ 524.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid with MolForge

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Related Compounds

1-(1-methylimidazol-2-yl)ethanamine;N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 158777894
1-(1H-benzimidazol-4-yl)ethanamine;N-[(1R)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 160522884
methane;1-(1-methylimidazol-4-yl)ethanamine;N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161771994
1-(1H-imidazol-5-yl)ethanamine;N-[(1R)-1-(1H-imidazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1H-imidazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161786752
1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 167534179
1-(1-methylimidazol-4-yl)ethanamine;N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 167664899
1-[4-(1-acetyl-2-phenylimidazol-4-yl)phenyl]ethanone;4,5-bis(3-methylphenyl)-3H-pyrazole;5-(4-cyclohexylphenyl)-1-methyl-3-phenylpyrazole;4,5-diphenyl-2H-imidazole;4,5-diphenyl-3H-pyrazole;3-ethyl-1-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]heptan-2-one;1-methoxy-4-[4-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene;5-(2-methoxyphenyl)-3-[3-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;methyl 4-(5-phenyl-1H-imidazol-2-yl)benzoate;4-(4-methylphenyl)-2-phenyl-1H-pyrrole;4-(1-methyl-5-phenylpyrrol-3-yl)phenol;molecular fluorine;4-phenyl-5-[3-(5-phenyl-2H-imidazol-4-yl)phenyl]-2H-triazole;[4-(2-phenyl-3H-pyrrol-4-yl)phenyl] 2-ethylhexanoate;hydrofluoride
CID 159213687

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (CID 161281243) is 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is CC(N)c1ncc[nH]1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncn[nH]1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The InChIKey is VFCOYLYZLFXDFX-MDCGZBDXSA-N. The full InChI is InChI=1S/2C23H18F3N3O2.C22H17F3N4O2.C18H11F3O3.C5H9N3.CH3FS/c2*1-14(21-27-11-12-28-21)29-22(30)16-5-10-19-15(13-16)3-2-4-20(19)31-18-8-6-17(7-9-18)23(24,25)26;1-13(20-26-12-27-29-20)28-21(30)15-5-10-18-14(11-15)3-2-4-19(18)31-17-8-6-16(7-9-17)22(23,24)25;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-4(6)5-7-2-3-8-5;1-3-2/h2*2-14H,1H3,(H,27,28)(H,29,30);2-13H,1H3,(H,28,30)(H,26,27,29);1-10H,(H,22,23);2-4H,6H2,1H3,(H,7,8);1H3/t14-;;13-;;;/m1.0.../s1.
What are the key properties of 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid has a molecular weight of 1786.74 g/mol, XLogP of 24.00, 19 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)ethanamine;N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 161281243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).