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

C23H13Br2Cl3N2O3 — CID 126237589

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

(5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126237589) has the molecular formula C23H13Br2Cl3N2O3 and a molecular weight of 631.54 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
• PubChem CID: 126237589
• Molecular Formula: C23H13Br2Cl3N2O3
• Molecular Weight: 631.54 g/mol
• Exact Mass: 627.84
• IUPAC Name: (5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
• SMILES: O=C1N/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C23H13Br2Cl3N2O3/c24-17-7-12(8-18(25)21(17)33-11-13-1-2-15(27)10-19(13)28)9-20-22(31)30(23(32)29-20)16-5-3-14(26)4-6-16/h1-10H,11H2,(H,29,32)/b20-9+
• InChIKey: CWPYEEUJZDLYDE-AWQFTUOYSA-N
• XLogP: 7.85
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.54
LogP ≤ 5	7.85
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-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 126237589) is (5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

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

The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1c1ccc(Cl)cc1.

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

The InChIKey is CWPYEEUJZDLYDE-AWQFTUOYSA-N. The full InChI is InChI=1S/C23H13Br2Cl3N2O3/c24-17-7-12(8-18(25)21(17)33-11-13-1-2-15(27)10-19(13)28)9-20-22(31)30(23(32)29-20)16-5-3-14(26)4-6-16/h1-10H,11H2,(H,29,32)/b20-9+.

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

(5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 631.54 g/mol, XLogP of 7.85, 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-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126237589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).