5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C23H22F2N4O5 — CID 4826104

IUPAC5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O
InChIInChI=1S/C23H22F2N4O5/c1-22(2)18(31)26-15-6-4-5-7-16(15)29(22)17(30)12-28-19(32)23(3,27-21(28)33)13-8-10-14(11-9-13)34-20(24)25/h4-11,20H,12H2,1-3H3,(H,26,31)(H,27,33)
InChIKeyGDESXSFRXJLKGS-UHFFFAOYSA-N
MW472.45 g/mol
LogP2.82
Rot. Bonds5

About 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 4826104) has the molecular formula C23H22F2N4O5 and a molecular weight of 472.45 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID4826104
Molecular FormulaC23H22F2N4O5
Molecular Weight472.45 g/mol
Exact Mass472.16
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O
InChIInChI=1S/C23H22F2N4O5/c1-22(2)18(31)26-15-6-4-5-7-16(15)29(22)17(30)12-28-19(32)23(3,27-21(28)33)13-8-10-14(11-9-13)34-20(24)25/h4-11,20H,12H2,1-3H3,(H,26,31)(H,27,33)
InChIKeyGDESXSFRXJLKGS-UHFFFAOYSA-N
XLogP2.82
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 4826104) is 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GDESXSFRXJLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O5/c1-22(2)18(31)26-15-6-4-5-7-16(15)29(22)17(30)12-28-19(32)23(3,27-21(28)33)13-8-10-14(11-9-13)34-20(24)25/h4-11,20H,12H2,1-3H3,(H,26,31)(H,27,33).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 472.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4826104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).