5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C20H20N4O6 — CID 126748420

About 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 126748420) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 126748420
• Molecular Formula: C20H20N4O6
• Molecular Weight: 412.40 g/mol
• Exact Mass: 412.14
• IUPAC Name: 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3ccc(N(O)OC)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C20H20N4O6/c1-29-15-8-3-12-10-23(17(25)16(12)9-15)11-20(18(26)21-19(27)22-20)13-4-6-14(7-5-13)24(28)30-2/h3-9,28H,10-11H2,1-2H3,(H2,21,22,26,27)
• InChIKey: SQFFVMJCZXEIFI-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 120.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.40
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 126748420) is 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccc(N(O)OC)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is SQFFVMJCZXEIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-29-15-8-3-12-10-23(17(25)16(12)9-15)11-20(18(26)21-19(27)22-20)13-4-6-14(7-5-13)24(28)30-2/h3-9,28H,10-11H2,1-2H3,(H2,21,22,26,27).

What are the key properties of 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 412.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126748420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).