4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole

C89H77F9N14O3 — CID 161282585

IUPAC4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole
SMILESCc1cc(C)cc(Oc2ccc(C#N)cc2)c1.Cc1cc(C)cc(Oc2ccc(C(F)(F)F)cc2)c1.Cc1cc(C)cc(Oc2ccccn2)c1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1.Cn1cc(-n2cccn2)cn1.FC(F)(F)c1ccc(-n2ccnc2)cc1.c1cnn(-c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C17H13F3N2.C15H13F3O.C15H13NO.C13H13NO.C12H10N4.C10H7F3N2.C7H8N4/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-22(15)14-5-3-2-4-6-14;1-10-7-11(2)9-14(8-10)19-13-5-3-12(4-6-13)15(16,17)18;1-11-7-12(2)9-15(8-11)17-14-5-3-13(10-16)4-6-14;1-10-7-11(2)9-12(8-10)15-13-5-3-4-6-14-13;1-6-14-16(8-1)12-4-2-11(3-5-12)15-9-7-13-10-15;11-10(12,13)8-1-3-9(4-2-8)15-6-5-14-7-15;1-10-6-7(5-9-10)11-4-2-3-8-11/h2-11H,1H3;3-9H,1-2H3;3-9H,1-2H3;3-9H,1-2H3;1-10H;1-7H;2-6H,1H3
InChIKeyVFHCTAKCGRLYOH-UHFFFAOYSA-N
MW1561.67 g/mol
LogP22.99
Rot. Bonds12

About 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole

4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 161282585) has the molecular formula C89H77F9N14O3 and a molecular weight of 1561.67 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID161282585
Molecular FormulaC89H77F9N14O3
Molecular Weight1561.67 g/mol
Exact Mass1560.62
IUPAC Name4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole
SMILESCc1cc(C)cc(Oc2ccc(C#N)cc2)c1.Cc1cc(C)cc(Oc2ccc(C(F)(F)F)cc2)c1.Cc1cc(C)cc(Oc2ccccn2)c1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1.Cn1cc(-n2cccn2)cn1.FC(F)(F)c1ccc(-n2ccnc2)cc1.c1cnn(-c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C17H13F3N2.C15H13F3O.C15H13NO.C13H13NO.C12H10N4.C10H7F3N2.C7H8N4/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-22(15)14-5-3-2-4-6-14;1-10-7-11(2)9-14(8-10)19-13-5-3-12(4-6-13)15(16,17)18;1-11-7-12(2)9-15(8-11)17-14-5-3-13(10-16)4-6-14;1-10-7-11(2)9-12(8-10)15-13-5-3-4-6-14-13;1-6-14-16(8-1)12-4-2-11(3-5-12)15-9-7-13-10-15;11-10(12,13)8-1-3-9(4-2-8)15-6-5-14-7-15;1-10-6-7(5-9-10)11-4-2-3-8-11/h2-11H,1H3;3-9H,1-2H3;3-9H,1-2H3;3-9H,1-2H3;1-10H;1-7H;2-6H,1H3
InChIKeyVFHCTAKCGRLYOH-UHFFFAOYSA-N
XLogP22.99
TPSA171.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001561.67
LogP ≤ 522.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole with MolForge

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Related Compounds

3-(4-Imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
CID 44530455
3-[6-[4-(1,1-Difluoroethoxy)-2-methylphenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 160146151
1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 162097252
1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 162173197
2-[4-[[4-[1,1-Bis[4-[[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]methoxy]phenyl]ethyl]phenoxy]methyl]benzene-6-id-1-yl]-1-(2,4-dimethylphenyl)imidazole;1-[4-[2-[3,5-bis[2-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]-5-(2,6-dimethylphenyl)-3-methylpyrazole;bis(iridium(3+))
CID 157982753
2-(2,4-difluorobenzene-6-id-1-yl)-4-naphthalen-1-yl-1-(2,4,6-trimethylphenyl)imidazole;1-(2,6-dimethylphenyl)-2-(4-methoxybenzene-6-id-1-yl)-4-naphthalen-2-ylimidazole;tetrakis(iridium);8-(3-methoxyphenyl)-9H-pyrazolo[1,5-a]quinolin-9-ide;4-(3-methylphenyl)-5-phenyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 158238361
5-[4-[2-(4-Cyanoanilino)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethylphenyl]-2-fluorobenzonitrile;4-[[4-[4-[4-(dimethylamino)phenyl]-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile
CID 160179469
3-[3,5-bis(5-methyl-1H-pyrazol-3-yl)phenyl]-5-methyl-1H-pyrazole;5-cyclohexyl-3-[3-(5-cyclohexyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;1,4-diphenylimidazole;1,3-diphenylpyrazole;1,3-diphenylpyrrole;3-(4-methoxyphenyl)-1-phenylpyrazole;molecular fluorine;4-phenyl-1-[3-(4-phenylimidazol-1-yl)phenyl]imidazole;1-phenyl-3-[3-(1-phenylpyrazol-3-yl)phenyl]pyrazole;3-phenyl-1-[3-(3-phenylpyrazol-1-yl)phenyl]pyrazole;1-phenyl-3-[4-(1-phenylpyrrol-3-yl)phenyl]pyrrole;3-phenyl-1-[3-(3-phenylpyrrol-1-yl)phenyl]pyrrole;5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole;5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole
CID 160624959
2-(3,5-dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-yltriazol-4-yl]pyridine;2-(3,5-dimethylphenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-yltriazol-4-yl]pyrimidine;4-[5-[6-(3,5-dimethylphenoxy)-2-pyridinyl]-4-(4-methylphenyl)triazol-1-yl]piperidine-1-carboximidamide;N-(3,5-dimethylphenyl)-6-[5-(4-fluorophenyl)-3-piperidin-4-yltriazol-4-yl]pyridin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(4-fluorophenyl)-3-piperidin-4-yltriazol-4-yl]pyrimidin-2-amine
CID 161779895
5-[1-(1,1-Dideuterioethyl)pyrazol-4-yl]-2-propan-2-ylphenol;5-(1-ethylpyrazol-4-yl)-4-fluoro-2-propan-2-ylphenol;5-[2-(1-fluoroethoxy)-4-pyridinyl]-2-propan-2-ylphenol;5-[1-(1-fluoroethyl)pyrazol-4-yl]-2-propan-2-ylphenol;5-(4-methylimidazol-1-yl)-2-propan-2-ylphenol;5-(1-methyl-2-methylidenepyrimidin-4-yl)-2-propan-2-ylphenol;5-(4-methylpyrazol-1-yl)-2-propan-2-ylphenol
CID 163479905
1-tert-butyl-6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indole;1-tert-butyl-6-(4-methoxyphenyl)indole;1-tert-butyl-5-(1-methylpyrazol-4-yl)indole;1-tert-butyl-5-(1H-pyrazol-4-yl)benzimidazole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylindole-6-carbonitrile;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
CID 164024325
1-Tert-butyl-6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indole;1-tert-butylindole;1-tert-butyl-6-(4-methoxyphenyl)indole;1-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-tert-butyl-5-(1-methylpyrazol-4-yl)benzimidazole;1-tert-butyl-6-(1-methylpyrazol-4-yl)benzimidazole;1-tert-butyl-5-(1-methylpyrazol-4-yl)indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
CID 164995514

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole (CID 161282585) is 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole is Cc1cc(C)cc(Oc2ccc(C#N)cc2)c1.Cc1cc(C)cc(Oc2ccc(C(F)(F)F)cc2)c1.Cc1cc(C)cc(Oc2ccccn2)c1.Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1.Cn1cc(-n2cccn2)cn1.FC(F)(F)c1ccc(-n2ccnc2)cc1.c1cnn(-c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is VFHCTAKCGRLYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2.C15H13F3O.C15H13NO.C13H13NO.C12H10N4.C10H7F3N2.C7H8N4/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-22(15)14-5-3-2-4-6-14;1-10-7-11(2)9-14(8-10)19-13-5-3-12(4-6-13)15(16,17)18;1-11-7-12(2)9-15(8-11)17-14-5-3-13(10-16)4-6-14;1-10-7-11(2)9-12(8-10)15-13-5-3-4-6-14-13;1-6-14-16(8-1)12-4-2-11(3-5-12)15-9-7-13-10-15;11-10(12,13)8-1-3-9(4-2-8)15-6-5-14-7-15;1-10-6-7(5-9-10)11-4-2-3-8-11/h2-11H,1H3;3-9H,1-2H3;3-9H,1-2H3;3-9H,1-2H3;1-10H;1-7H;2-6H,1H3.
What are the key properties of 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole?
4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 1561.67 g/mol, XLogP of 22.99, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)benzonitrile;2-(3,5-dimethylphenoxy)pyridine;1,3-dimethyl-5-[4-(trifluoromethyl)phenoxy]benzene;1-(4-imidazol-1-ylphenyl)pyrazole;5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole;1-methyl-4-pyrazol-1-ylpyrazole;1-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 161282585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).