ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid

C62H52I2N6O20 — CID 159358260

About ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid

ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid (PubChem CID 159358260) has the molecular formula C62H52I2N6O20 and a molecular weight of 1454.93 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid.

Molecular Properties

• Compound Name: ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid
• PubChem CID: 159358260
• Molecular Formula: C62H52I2N6O20
• Molecular Weight: 1454.93 g/mol
• Exact Mass: 1454.13
• IUPAC Name: ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid
• SMILES: CCOC(=O)c1ccc(I)c(O)c1.CCOC(=O)c1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(=O)O)ccc4o3)NC(=O)NC1=O)C2.O=C(O)c1ccc(I)c(O)c1
• InChI: InChI=1S/C24H21N3O7.C22H17N3O7.C9H9IO3.C7H5IO3/c1-3-33-21(29)13-5-7-18-15(8-13)9-19(34-18)24(22(30)25-23(31)26-24)12-27-11-14-4-6-16(32-2)10-17(14)20(27)28;1-31-14-4-2-12-9-25(18(26)15(12)8-14)10-22(20(29)23-21(30)24-22)17-7-13-6-11(19(27)28)3-5-16(13)32-17;1-2-13-9(12)6-3-4-7(10)8(11)5-6;8-5-2-1-4(7(10)11)3-6(5)9/h4-10H,3,11-12H2,1-2H3,(H2,25,26,30,31);2-8H,9-10H2,1H3,(H,27,28)(H2,23,24,29,30);3-5,11H,2H2,1H3;1-3,9H,(H,10,11)/t24-;22-;;/m00../s1
• InChIKey: LIEVIHYNHQKPEI-CEYZPXLESA-N
• XLogP: 8.01
• TPSA: 369.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1454.93
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid?

The IUPAC name of ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid (CID 159358260) is ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid.

What is the SMILES notation for ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid?

The canonical SMILES for ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid is CCOC(=O)c1ccc(I)c(O)c1.CCOC(=O)c1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(=O)O)ccc4o3)NC(=O)NC1=O)C2.O=C(O)c1ccc(I)c(O)c1.

What is the InChIKey of ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid?

The InChIKey is LIEVIHYNHQKPEI-CEYZPXLESA-N. The full InChI is InChI=1S/C24H21N3O7.C22H17N3O7.C9H9IO3.C7H5IO3/c1-3-33-21(29)13-5-7-18-15(8-13)9-19(34-18)24(22(30)25-23(31)26-24)12-27-11-14-4-6-16(32-2)10-17(14)20(27)28;1-31-14-4-2-12-9-25(18(26)15(12)8-14)10-22(20(29)23-21(30)24-22)17-7-13-6-11(19(27)28)3-5-16(13)32-17;1-2-13-9(12)6-3-4-7(10)8(11)5-6;8-5-2-1-4(7(10)11)3-6(5)9/h4-10H,3,11-12H2,1-2H3,(H2,25,26,30,31);2-8H,9-10H2,1H3,(H,27,28)(H2,23,24,29,30);3-5,11H,2H2,1H3;1-3,9H,(H,10,11)/t24-;22-;;/m00../s1.

What are the key properties of ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid?

ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid has a molecular weight of 1454.93 g/mol, XLogP of 8.01, 14 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-hydroxy-4-iodobenzoate;ethyl 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylate;3-hydroxy-4-iodobenzoic acid;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 159358260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).