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

C97H85F13N12O9S — CID 158777894

IUPAC1-(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
SMILESCC(N)c1nccn1C.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/3C24H20F3N3O2.C18H11F3O3.C6H11N3.CH3FS/c3*1-15(22-28-12-13-30(22)2)29-23(31)17-6-11-20-16(14-17)4-3-5-21(20)32-19-9-7-18(8-10-19)24(25,26)27;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;1-5(7)6-8-3-4-9(6)2;1-3-2/h3*3-15H,1-2H3,(H,29,31);1-10H,(H,22,23);3-5H,7H2,1-2H3;1H3/t2*15-;;;;/m10..../s1
InChIKeyIQRWXFJVMTXJDW-SDQYGQRDSA-N
MW1841.86 g/mol
LogP24.65
Rot. Bonds19

About 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

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 (PubChem CID 158777894) has the molecular formula C97H85F13N12O9S and a molecular weight of 1841.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158777894
Molecular FormulaC97H85F13N12O9S
Molecular Weight1841.86 g/mol
Exact Mass1840.61
IUPAC Name1-(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
SMILESCC(N)c1nccn1C.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/3C24H20F3N3O2.C18H11F3O3.C6H11N3.CH3FS/c3*1-15(22-28-12-13-30(22)2)29-23(31)17-6-11-20-16(14-17)4-3-5-21(20)32-19-9-7-18(8-10-19)24(25,26)27;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;1-5(7)6-8-3-4-9(6)2;1-3-2/h3*3-15H,1-2H3,(H,29,31);1-10H,(H,22,23);3-5H,7H2,1-2H3;1H3/t2*15-;;;;/m10..../s1
InChIKeyIQRWXFJVMTXJDW-SDQYGQRDSA-N
XLogP24.65
TPSA258.82 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.86
LogP ≤ 524.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214006
N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214272
N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214008
N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 159206707
1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 159789833
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
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
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
4-benzyl-N-[3-(diethylamino)propyl]-3-methylbenzamide;N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162198464
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(N)c1nccn1C.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of 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?
The InChIKey is IQRWXFJVMTXJDW-SDQYGQRDSA-N. The full InChI is InChI=1S/3C24H20F3N3O2.C18H11F3O3.C6H11N3.CH3FS/c3*1-15(22-28-12-13-30(22)2)29-23(31)17-6-11-20-16(14-17)4-3-5-21(20)32-19-9-7-18(8-10-19)24(25,26)27;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;1-5(7)6-8-3-4-9(6)2;1-3-2/h3*3-15H,1-2H3,(H,29,31);1-10H,(H,22,23);3-5H,7H2,1-2H3;1H3/t2*15-;;;;/m10..../s1.
What are the key properties of 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?
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 has a molecular weight of 1841.86 g/mol, XLogP of 24.65, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158777894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).