5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C69H68BBrF12N12O2 — CID 158297274

About 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;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;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 158297274) has the molecular formula C69H68BBrF12N12O2 and a molecular weight of 1416.08 g/mol. Its IUPAC name is 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;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;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• PubChem CID: 158297274
• Molecular Formula: C69H68BBrF12N12O2
• Molecular Weight: 1416.08 g/mol
• Exact Mass: 1414.47
• IUPAC Name: 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
• SMILES: CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.CCC(F)F.Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)n1CC(F)F.Cc1nc(-c2ccc(F)cc2)c(Br)n1CC(F)F.Cc1nc(-c2ccc(F)cc2)cn1CC(F)F.Cc1ncc(-c2ccc(F)cc2)[nH]1
• InChI: InChI=1S/C19H15F3N4.C13H17BN2O2.C12H10BrF3N2.C12H11F3N2.C10H9FN2.C3H6F2/c1-12-24-18(13-2-5-15(20)6-3-13)19(26(12)11-16(21)22)14-4-7-17-23-8-9-25(17)10-14;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-7-17-11(8-2-4-9(14)5-3-8)12(13)18(7)6-10(15)16;1-8-16-11(6-17(8)7-12(14)15)9-2-4-10(13)5-3-9;1-7-12-6-10(13-7)8-2-4-9(11)5-3-8;1-2-3(4)5/h2-10,16H,11H2,1H3;5-9H,1-4H3;2-5,10H,6H2,1H3;2-6,12H,7H2,1H3;2-6H,1H3,(H,12,13);3H,2H2,1H3
• InChIKey: GMBKEBLZDMEBNU-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 135.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.08
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'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;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;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;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 158297274) is 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;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;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;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;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.CCC(F)F.Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)n1CC(F)F.Cc1nc(-c2ccc(F)cc2)c(Br)n1CC(F)F.Cc1nc(-c2ccc(F)cc2)cn1CC(F)F.Cc1ncc(-c2ccc(F)cc2)[nH]1.

What is the InChIKey of 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?

The InChIKey is GMBKEBLZDMEBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4.C13H17BN2O2.C12H10BrF3N2.C12H11F3N2.C10H9FN2.C3H6F2/c1-12-24-18(13-2-5-15(20)6-3-13)19(26(12)11-16(21)22)14-4-7-17-23-8-9-25(17)10-14;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-7-17-11(8-2-4-9(14)5-3-8)12(13)18(7)6-10(15)16;1-8-16-11(6-17(8)7-12(14)15)9-2-4-10(13)5-3-9;1-7-12-6-10(13-7)8-2-4-9(11)5-3-8;1-2-3(4)5/h2-10,16H,11H2,1H3;5-9H,1-4H3;2-5,10H,6H2,1H3;2-6,12H,7H2,1H3;2-6H,1H3,(H,12,13);3H,2H2,1H3.

What are the key properties of 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;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;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 1416.08 g/mol, XLogP of 17.68, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-2-methylimidazole;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;1,1-difluoropropane;5-(4-fluorophenyl)-2-methyl-1H-imidazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158297274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).