4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane

C48H54BBr4IN8O8 — CID 159972298

About 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane

4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane (PubChem CID 159972298) has the molecular formula C48H54BBr4IN8O8 and a molecular weight of 1328.34 g/mol. Its IUPAC name is 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane.

Molecular Properties

• Compound Name: 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane
• PubChem CID: 159972298
• Molecular Formula: C48H54BBr4IN8O8
• Molecular Weight: 1328.34 g/mol
• Exact Mass: 1323.99
• IUPAC Name: 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane
• SMILES: CI.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2c(c1)n(C)c(=O)n2C.Cc1noc(C)c1B1OC(C)(C)C(C)(C)O1.Cn1c(=O)n(C)c2c(Br)cc(Br)cc21.O=C1Cc2c(Br)cc(Br)cc2N1
• InChI: InChI=1S/C19H20N4O3.C11H18BNO3.C9H8Br2N2O.C8H5Br2NO.CH3I/c1-9-16(11(3)25-20-9)13-7-14(17-10(2)21-26-12(17)4)18-15(8-13)22(5)19(24)23(18)6;1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12;1-12-7-4-5(10)3-6(11)8(7)13(2)9(12)14;9-4-1-6(10)5-3-8(12)11-7(5)2-4;1-2/h7-8H,1-6H3;1-6H3;3-4H,1-2H3;1-2H,3H2,(H,11,12);1H3
• InChIKey: OERYCJMLZKLZSY-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 179.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1328.34
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane?

The IUPAC name of 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane (CID 159972298) is 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane.

What is the SMILES notation for 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane?

The canonical SMILES for 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane is CI.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2c(c1)n(C)c(=O)n2C.Cc1noc(C)c1B1OC(C)(C)C(C)(C)O1.Cn1c(=O)n(C)c2c(Br)cc(Br)cc21.O=C1Cc2c(Br)cc(Br)cc2N1.

What is the InChIKey of 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane?

The InChIKey is OERYCJMLZKLZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.C11H18BNO3.C9H8Br2N2O.C8H5Br2NO.CH3I/c1-9-16(11(3)25-20-9)13-7-14(17-10(2)21-26-12(17)4)18-15(8-13)22(5)19(24)23(18)6;1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12;1-12-7-4-5(10)3-6(11)8(7)13(2)9(12)14;9-4-1-6(10)5-3-8(12)11-7(5)2-4;1-2/h7-8H,1-6H3;1-6H3;3-4H,1-2H3;1-2H,3H2,(H,11,12);1H3.

What are the key properties of 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane?

4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane has a molecular weight of 1328.34 g/mol, XLogP of 11.17, 3 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylbenzimidazol-2-one;4,6-dibromo-1,3-dihydroindol-2-one;4,6-dibromo-1,3-dimethylbenzimidazol-2-one;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;iodomethane is sourced from PubChem (CID 159972298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).