2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride

C95H87B2Br4Cl2F20N27O10Si — CID 159349102

About 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride

2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride (PubChem CID 159349102) has the molecular formula C95H87B2Br4Cl2F20N27O10Si and a molecular weight of 2587.11 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride.

Molecular Properties

• Compound Name: 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride
• PubChem CID: 159349102
• Molecular Formula: C95H87B2Br4Cl2F20N27O10Si
• Molecular Weight: 2587.11 g/mol
• Exact Mass: 2581.29
• IUPAC Name: 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride
• SMILES: Cl.Cl.Cn1cnc(Cc2ncc(-c3cc(F)c(CC(=O)Nc4cncc(C(F)(F)F)c4)cc3F)cn2)c1.Cn1cnc(N(COCC[Si](C)(C)C)c2ncc(Br)cn2)c1.Cn1cnc(Nc2ncc(B(O)O)cn2)c1.Cn1cnc(Nc2ncc(B(O)O)cn2)c1.Nc1cncc(C(F)(F)F)c1.O=C(Cc1cc(F)c(Br)cc1F)Nc1cncc(C(F)(F)F)c1.O=C(Cc1cc(F)c(Br)cc1F)Nc1cncc(C(F)(F)F)c1.O=C(O)Cc1cc(F)c(Br)cc1F
• InChI: InChI=1S/C23H17F5N6O.2C14H8BrF5N2O.C14H22BrN5OSi.2C8H10BN5O2.C8H5BrF2O2.C6H5F3N2.2ClH/c1-34-11-17(32-12-34)5-21-30-7-14(8-31-21)18-6-19(24)13(2-20(18)25)3-22(35)33-16-4-15(9-29-10-16)23(26,27)28;2*15-10-4-11(16)7(1-12(10)17)2-13(23)22-9-3-8(5-21-6-9)14(18,19)20;1-19-9-13(18-10-19)20(11-21-5-6-22(2,3)4)14-16-7-12(15)8-17-14;2*1-14-4-7(12-5-14)13-8-10-2-6(3-11-8)9(15)16;9-5-3-6(10)4(1-7(5)11)2-8(12)13;7-6(8,9)4-1-5(10)3-11-2-4;;/h2,4,6-12H,3,5H2,1H3,(H,33,35);2*1,3-6H,2H2,(H,22,23);7-10H,5-6,11H2,1-4H3;2*2-5,15-16H,1H3,(H,10,11,13);1,3H,2H2,(H,12,13);1-3H,10H2;2*1H
• InChIKey: IJWKFZROPFPXKU-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 494.03 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2587.11
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride?

The IUPAC name of 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride (CID 159349102) is 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride.

What is the SMILES notation for 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride?

The canonical SMILES for 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride is Cl.Cl.Cn1cnc(Cc2ncc(-c3cc(F)c(CC(=O)Nc4cncc(C(F)(F)F)c4)cc3F)cn2)c1.Cn1cnc(N(COCC[Si](C)(C)C)c2ncc(Br)cn2)c1.Cn1cnc(Nc2ncc(B(O)O)cn2)c1.Cn1cnc(Nc2ncc(B(O)O)cn2)c1.Nc1cncc(C(F)(F)F)c1.O=C(Cc1cc(F)c(Br)cc1F)Nc1cncc(C(F)(F)F)c1.O=C(Cc1cc(F)c(Br)cc1F)Nc1cncc(C(F)(F)F)c1.O=C(O)Cc1cc(F)c(Br)cc1F.

What is the InChIKey of 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride?

The InChIKey is IJWKFZROPFPXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N6O.2C14H8BrF5N2O.C14H22BrN5OSi.2C8H10BN5O2.C8H5BrF2O2.C6H5F3N2.2ClH/c1-34-11-17(32-12-34)5-21-30-7-14(8-31-21)18-6-19(24)13(2-20(18)25)3-22(35)33-16-4-15(9-29-10-16)23(26,27)28;2*15-10-4-11(16)7(1-12(10)17)2-13(23)22-9-3-8(5-21-6-9)14(18,19)20;1-19-9-13(18-10-19)20(11-21-5-6-22(2,3)4)14-16-7-12(15)8-17-14;2*1-14-4-7(12-5-14)13-8-10-2-6(3-11-8)9(15)16;9-5-3-6(10)4(1-7(5)11)2-8(12)13;7-6(8,9)4-1-5(10)3-11-2-4;;/h2,4,6-12H,3,5H2,1H3,(H,33,35);2*1,3-6H,2H2,(H,22,23);7-10H,5-6,11H2,1-4H3;2*2-5,15-16H,1H3,(H,10,11,13);1,3H,2H2,(H,12,13);1-3H,10H2;2*1H.

What are the key properties of 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride?

2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride has a molecular weight of 2587.11 g/mol, XLogP of 18.56, 27 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2,5-difluorophenyl)acetic acid;bis(2-(4-bromo-2,5-difluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide);5-bromo-N-(1-methylimidazol-4-yl)-N-(2-trimethylsilylethoxymethyl)pyrimidin-2-amine;2-[2,5-difluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;bis([2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]boronic acid);5-(trifluoromethyl)pyridin-3-amine;dihydrochloride is sourced from PubChem (CID 159349102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).