5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane

C119H125Br5N10O22Si2 — CID 161196110

About 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane

5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane (PubChem CID 161196110) has the molecular formula C119H125Br5N10O22Si2 and a molecular weight of 2503.05 g/mol. Its IUPAC name is 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane.

Molecular Properties

• Compound Name: 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane
• PubChem CID: 161196110
• Molecular Formula: C119H125Br5N10O22Si2
• Molecular Weight: 2503.05 g/mol
• Exact Mass: 2496.44
• IUPAC Name: 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane
• SMILES: C1CCOCC1.CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1C(=O)N1CCOCC1.CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1C(=O)O.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(CN5C(=O)c6ccccc6C5=O)c4)cn23)cc1.O=C(c1ccc(Br)cc1CN1C(=O)c2ccccc2C1=O)N1CCOCC1.O=C(c1ccc(Br)cc1CO)N1CCOCC1.O=C1NC(=O)c2ccccc21.O=C1OCc2cc(Br)ccc21
• InChI: InChI=1S/C34H25N5O4.C20H17BrN2O4.C18H28BrNO3Si.C14H21BrO3Si.C12H14BrNO3.C8H5BrO2.C8H5NO2.C5H10O/c35-18-22-5-7-23(8-6-22)30-19-36-31-12-10-25(20-38(30)31)24-9-11-27(32(40)37-13-15-43-16-14-37)26(17-24)21-39-33(41)28-3-1-2-4-29(28)34(39)42;21-14-5-6-15(18(24)22-7-9-27-10-8-22)13(11-14)12-23-19(25)16-3-1-2-4-17(16)20(23)26;1-18(2,3)24(4,5)23-13-14-12-15(19)6-7-16(14)17(21)20-8-10-22-11-9-20;1-14(2,3)19(4,5)18-9-10-8-11(15)6-7-12(10)13(16)17;13-10-1-2-11(9(7-10)8-15)12(16)14-3-5-17-6-4-14;9-6-1-2-7-5(3-6)4-11-8(7)10;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-4-6-5-3-1/h1-12,17,19-20H,13-16,21H2;1-6,11H,7-10,12H2;6-7,12H,8-11,13H2,1-5H3;6-8H,9H2,1-5H3,(H,16,17);1-2,7,15H,3-6,8H2;1-3H,4H2;1-4H,(H,9,10,11);1-5H2
• InChIKey: UUJAHAPAMIHFFI-UHFFFAOYSA-N
• XLogP: 21.93
• TPSA: 391.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.05
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane?

The IUPAC name of 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane (CID 161196110) is 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane.

What is the SMILES notation for 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane?

The canonical SMILES for 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane is C1CCOCC1.CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1C(=O)N1CCOCC1.CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1C(=O)O.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(CN5C(=O)c6ccccc6C5=O)c4)cn23)cc1.O=C(c1ccc(Br)cc1CN1C(=O)c2ccccc2C1=O)N1CCOCC1.O=C(c1ccc(Br)cc1CO)N1CCOCC1.O=C1NC(=O)c2ccccc21.O=C1OCc2cc(Br)ccc21.

What is the InChIKey of 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane?

The InChIKey is UUJAHAPAMIHFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N5O4.C20H17BrN2O4.C18H28BrNO3Si.C14H21BrO3Si.C12H14BrNO3.C8H5BrO2.C8H5NO2.C5H10O/c35-18-22-5-7-23(8-6-22)30-19-36-31-12-10-25(20-38(30)31)24-9-11-27(32(40)37-13-15-43-16-14-37)26(17-24)21-39-33(41)28-3-1-2-4-29(28)34(39)42;21-14-5-6-15(18(24)22-7-9-27-10-8-22)13(11-14)12-23-19(25)16-3-1-2-4-17(16)20(23)26;1-18(2,3)24(4,5)23-13-14-12-15(19)6-7-16(14)17(21)20-8-10-22-11-9-20;1-14(2,3)19(4,5)18-9-10-8-11(15)6-7-12(10)13(16)17;13-10-1-2-11(9(7-10)8-15)12(16)14-3-5-17-6-4-14;9-6-1-2-7-5(3-6)4-11-8(7)10;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-4-6-5-3-1/h1-12,17,19-20H,13-16,21H2;1-6,11H,7-10,12H2;6-7,12H,8-11,13H2,1-5H3;6-8H,9H2,1-5H3,(H,16,17);1-2,7,15H,3-6,8H2;1-3H,4H2;1-4H,(H,9,10,11);1-5H2.

What are the key properties of 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane?

5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane has a molecular weight of 2503.05 g/mol, XLogP of 21.93, 18 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3H-2-benzofuran-1-one;4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid;[4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-morpholin-4-ylmethanone;[4-bromo-2-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone;2-[[5-bromo-2-(morpholine-4-carbonyl)phenyl]methyl]isoindole-1,3-dione;4-[6-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;isoindole-1,3-dione;oxane is sourced from PubChem (CID 161196110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).