(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

C23H14Cl3FN2O3 — CID 126179138

About (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126179138) has the molecular formula C23H14Cl3FN2O3 and a molecular weight of 491.73 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
• PubChem CID: 126179138
• Molecular Formula: C23H14Cl3FN2O3
• Molecular Weight: 491.73 g/mol
• Exact Mass: 490.01
• IUPAC Name: (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
• SMILES: O=C1N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C23H14Cl3FN2O3/c24-15-5-7-16(8-6-15)29-22(30)20(28-23(29)31)11-13-9-17(25)21(18(26)10-13)32-12-14-3-1-2-4-19(14)27/h1-11H,12H2,(H,28,31)/b20-11+
• InChIKey: MBSICQVKASMUST-RGVLZGJSSA-N
• XLogP: 6.46
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.73
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 126179138) is (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?

The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1.

What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?

The InChIKey is MBSICQVKASMUST-RGVLZGJSSA-N. The full InChI is InChI=1S/C23H14Cl3FN2O3/c24-15-5-7-16(8-6-15)29-22(30)20(28-23(29)31)11-13-9-17(25)21(18(26)10-13)32-12-14-3-1-2-4-19(14)27/h1-11H,12H2,(H,28,31)/b20-11+.

What are the key properties of (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?

(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 491.73 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126179138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).