5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C66H56BBrF9N15O3 — CID 159918384

About 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 159918384) has the molecular formula C66H56BBrF9N15O3 and a molecular weight of 1368.97 g/mol. Its IUPAC name is 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• PubChem CID: 159918384
• Molecular Formula: C66H56BBrF9N15O3
• Molecular Weight: 1368.97 g/mol
• Exact Mass: 1367.38
• IUPAC Name: 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• SMILES: Cc1nc(-c2ccc(F)cc2)c(-c2ccc3ncc(C(N)=O)n3c2)n1CC(F)F.Cc1nc(-c2ccc(F)cc2)c(Br)n1CC(F)F.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(C)n3CC(F)F)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
• InChI: InChI=1S/C20H16F3N5O.C20H14F3N5.C14H16BN3O2.C12H10BrF3N2/c1-11-26-18(12-2-5-14(21)6-3-12)19(27(11)10-16(22)23)13-4-7-17-25-8-15(20(24)29)28(17)9-13;1-12-26-19(13-3-6-15(21)7-4-13)20(27(12)11-16(22)23)14-5-8-17-25-9-18(24-2)28(17)10-14;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-7-17-11(8-2-4-9(14)5-3-8)12(13)18(7)6-10(15)16/h2-9,16H,10H2,1H3,(H2,24,29);3-10,16H,11H2,1H3;6-9H,1-4H3;2-5,10H,6H2,1H3
• InChIKey: NYBUDPIJVIPALA-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 175.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1368.97
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The IUPAC name of 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 159918384) is 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The canonical SMILES for 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3ncc(C(N)=O)n3c2)n1CC(F)F.Cc1nc(-c2ccc(F)cc2)c(Br)n1CC(F)F.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(C)n3CC(F)F)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.

What is the InChIKey of 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The InChIKey is NYBUDPIJVIPALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O.C20H14F3N5.C14H16BN3O2.C12H10BrF3N2/c1-11-26-18(12-2-5-14(21)6-3-12)19(27(11)10-16(22)23)13-4-7-17-25-8-15(20(24)29)28(17)9-13;1-12-26-19(13-3-6-15(21)7-4-13)20(27(12)11-16(22)23)14-5-8-17-25-9-18(24-2)28(17)10-14;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-7-17-11(8-2-4-9(14)5-3-8)12(13)18(7)6-10(15)16/h2-9,16H,10H2,1H3,(H2,24,29);3-10,16H,11H2,1H3;6-9H,1-4H3;2-5,10H,6H2,1H3.

What are the key properties of 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 1368.97 g/mol, XLogP of 15.01, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159918384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).