5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one

C138H150BBr2F15N18O17 — CID 159856871

About 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one

5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one (PubChem CID 159856871) has the molecular formula C138H150BBr2F15N18O17 and a molecular weight of 2788.42 g/mol. Its IUPAC name is 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one.

Molecular Properties

• Compound Name: 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one
• PubChem CID: 159856871
• Molecular Formula: C138H150BBr2F15N18O17
• Molecular Weight: 2788.42 g/mol
• Exact Mass: 2784.96
• IUPAC Name: 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one
• SMILES: CC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3Cc3ccccc3)cn2)cc1)C(=O)O.CN(CC1COC(C)(C)O1)C(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3Cc3ccccc3)cn2)cc1.CN(CC1COC(C)(C)O1)C(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1.CNCC1COC(C)(C)O1.FC(F)(F)c1cn(Cc2ccccc2)c(-c2ccc(Br)nc2)n1.FC(F)(F)c1cnc(-c2ccc(Br)nc2)[nH]1
• InChI: InChI=1S/C34H37F3N4O4.C27H31F3N4O4.C27H24F3N3O3.C18H27BO4.C16H11BrF3N3.C9H5BrF3N3.C7H15NO2/c1-32(2,31(42)40(5)19-27-21-44-33(3,4)45-27)22-43-26-14-11-24(12-15-26)28-16-13-25(17-38-28)30-39-29(34(35,36)37)20-41(30)18-23-9-7-6-8-10-23;1-25(2,24(35)34(5)14-20-15-37-26(3,4)38-20)16-36-19-9-6-17(7-10-19)21-11-8-18(12-31-21)23-32-13-22(33-23)27(28,29)30;1-26(2,25(34)35)17-36-21-11-8-19(9-12-21)22-13-10-20(14-31-22)24-32-23(27(28,29)30)16-33(24)15-18-6-4-3-5-7-18;1-13(20)16(2,3)12-21-15-10-8-14(9-11-15)19-22-17(4,5)18(6,7)23-19;17-14-7-6-12(8-21-14)15-22-13(16(18,19)20)10-23(15)9-11-4-2-1-3-5-11;10-7-2-1-5(3-14-7)8-15-4-6(16-8)9(11,12)13;1-7(2)9-5-6(10-7)4-8-3/h6-17,20,27H,18-19,21-22H2,1-5H3;6-13,20H,14-16H2,1-5H3,(H,32,33);3-14,16H,15,17H2,1-2H3,(H,34,35);8-11H,12H2,1-7H3;1-8,10H,9H2;1-4H,(H,15,16);6,8H,4-5H2,1-3H3
• InChIKey: NQQGSRARECCJDO-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 393.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2788.42
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one?

The IUPAC name of 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one (CID 159856871) is 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one.

What is the SMILES notation for 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one?

The canonical SMILES for 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one is CC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3Cc3ccccc3)cn2)cc1)C(=O)O.CN(CC1COC(C)(C)O1)C(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3Cc3ccccc3)cn2)cc1.CN(CC1COC(C)(C)O1)C(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1.CNCC1COC(C)(C)O1.FC(F)(F)c1cn(Cc2ccccc2)c(-c2ccc(Br)nc2)n1.FC(F)(F)c1cnc(-c2ccc(Br)nc2)[nH]1.

What is the InChIKey of 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one?

The InChIKey is NQQGSRARECCJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F3N4O4.C27H31F3N4O4.C27H24F3N3O3.C18H27BO4.C16H11BrF3N3.C9H5BrF3N3.C7H15NO2/c1-32(2,31(42)40(5)19-27-21-44-33(3,4)45-27)22-43-26-14-11-24(12-15-26)28-16-13-25(17-38-28)30-39-29(34(35,36)37)20-41(30)18-23-9-7-6-8-10-23;1-25(2,24(35)34(5)14-20-15-37-26(3,4)38-20)16-36-19-9-6-17(7-10-19)21-11-8-18(12-31-21)23-32-13-22(33-23)27(28,29)30;1-26(2,25(34)35)17-36-21-11-8-19(9-12-21)22-13-10-20(14-31-22)24-32-23(27(28,29)30)16-33(24)15-18-6-4-3-5-7-18;1-13(20)16(2,3)12-21-15-10-8-14(9-11-15)19-22-17(4,5)18(6,7)23-19;17-14-7-6-12(8-21-14)15-22-13(16(18,19)20)10-23(15)9-11-4-2-1-3-5-11;10-7-2-1-5(3-14-7)8-15-4-6(16-8)9(11,12)13;1-7(2)9-5-6(10-7)4-8-3/h6-17,20,27H,18-19,21-22H2,1-5H3;6-13,20H,14-16H2,1-5H3,(H,32,33);3-14,16H,15,17H2,1-2H3,(H,34,35);8-11H,12H2,1-7H3;1-8,10H,9H2;1-4H,(H,15,16);6,8H,4-5H2,1-3H3.

What are the key properties of 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one?

5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one has a molecular weight of 2788.42 g/mol, XLogP of 29.40, 37 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-bromopyridine;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide;3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide;3,3-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-one is sourced from PubChem (CID 159856871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).