1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C73H93B3Br2N8O14 — CID 158473406

About 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158473406) has the molecular formula C73H93B3Br2N8O14 and a molecular weight of 1498.83 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158473406
• Molecular Formula: C73H93B3Br2N8O14
• Molecular Weight: 1498.83 g/mol
• Exact Mass: 1496.55
• IUPAC Name: 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)N1Cc2cc(-c3ccc(CN4CC(=O)N(C)C4=O)cc3)ccc2C1=O.CC(C)N1Cc2cc(Br)ccc2C1=O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1C(=O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1=O.CN1C(=O)CN(Cc2ccc(Br)cc2)C1=O
• InChI: InChI=1S/C22H23N3O3.C17H23BN2O4.C12H24B2O4.C11H11BrN2O2.C11H12BrNO/c1-14(2)25-12-18-10-17(8-9-19(18)21(25)27)16-6-4-15(5-7-16)11-24-13-20(26)23(3)22(24)28;1-16(2)17(3,4)24-18(23-16)13-8-6-12(7-9-13)10-20-11-14(21)19(5)15(20)22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-13-10(15)7-14(11(13)16)6-8-2-4-9(12)5-3-8;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14/h4-10,14H,11-13H2,1-3H3;6-9H,10-11H2,1-5H3;1-8H3;2-5H,6-7H2,1H3;3-5,7H,6H2,1-2H3
• InChIKey: HGPZDTAMDVCKJW-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 217.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.83
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158473406) is 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)N1Cc2cc(-c3ccc(CN4CC(=O)N(C)C4=O)cc3)ccc2C1=O.CC(C)N1Cc2cc(Br)ccc2C1=O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1C(=O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1=O.CN1C(=O)CN(Cc2ccc(Br)cc2)C1=O.

What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HGPZDTAMDVCKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.C17H23BN2O4.C12H24B2O4.C11H11BrN2O2.C11H12BrNO/c1-14(2)25-12-18-10-17(8-9-19(18)21(25)27)16-6-4-15(5-7-16)11-24-13-20(26)23(3)22(24)28;1-16(2)17(3,4)24-18(23-16)13-8-6-12(7-9-13)10-20-11-14(21)19(5)15(20)22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-13-10(15)7-14(11(13)16)6-8-2-4-9(12)5-3-8;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14/h4-10,14H,11-13H2,1-3H3;6-9H,10-11H2,1-5H3;1-8H3;2-5H,6-7H2,1H3;3-5,7H,6H2,1-2H3.

What are the key properties of 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1498.83 g/mol, XLogP of 11.40, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158473406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).