4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid

C34H36BF6IN8O6 — CID 160632557

About 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid

4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid (PubChem CID 160632557) has the molecular formula C34H36BF6IN8O6 and a molecular weight of 904.42 g/mol. Its IUPAC name is 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid.

Molecular Properties

• Compound Name: 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid
• PubChem CID: 160632557
• Molecular Formula: C34H36BF6IN8O6
• Molecular Weight: 904.42 g/mol
• Exact Mass: 904.18
• IUPAC Name: 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid
• SMILES: CC1C(O)N(c2cc(C(F)(F)F)c(I)cn2)C(=O)N1C.Cc1ccc(-c2cnc(N3C(=O)N(C)C(C)C3O)cc2C(F)(F)F)cn1.Cc1ccc(B(O)O)cn1
• InChI: InChI=1S/C17H17F3N4O2.C11H11F3IN3O2.C6H8BNO2/c1-9-4-5-11(7-21-9)12-8-22-14(6-13(12)17(18,19)20)24-15(25)10(2)23(3)16(24)26;1-5-9(19)18(10(20)17(5)2)8-3-6(11(12,13)14)7(15)4-16-8;1-5-2-3-6(4-8-5)7(9)10/h4-8,10,15,25H,1-3H3;3-5,9,19H,1-2H3;2-4,9-10H,1H3
• InChIKey: RICIKVACRJZDKT-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 179.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	904.42
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid?

The IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid (CID 160632557) is 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid.

What is the SMILES notation for 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid?

The canonical SMILES for 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid is CC1C(O)N(c2cc(C(F)(F)F)c(I)cn2)C(=O)N1C.Cc1ccc(-c2cnc(N3C(=O)N(C)C(C)C3O)cc2C(F)(F)F)cn1.Cc1ccc(B(O)O)cn1.

What is the InChIKey of 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid?

The InChIKey is RICIKVACRJZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2.C11H11F3IN3O2.C6H8BNO2/c1-9-4-5-11(7-21-9)12-8-22-14(6-13(12)17(18,19)20)24-15(25)10(2)23(3)16(24)26;1-5-9(19)18(10(20)17(5)2)8-3-6(11(12,13)14)7(15)4-16-8;1-5-2-3-6(4-8-5)7(9)10/h4-8,10,15,25H,1-3H3;3-5,9,19H,1-2H3;2-4,9-10H,1H3.

What are the key properties of 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid?

4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid has a molecular weight of 904.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1,5-dimethyl-3-[5-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylimidazolidin-2-one;(6-methyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 160632557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).