(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

C24H22Cl2FN3O2 — CID 50865627

About (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 50865627) has the molecular formula C24H22Cl2FN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
• PubChem CID: 50865627
• Molecular Formula: C24H22Cl2FN3O2
• Molecular Weight: 474.36 g/mol
• Exact Mass: 473.11
• IUPAC Name: (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
• SMILES: CC1=CC(C)(C)N(C)c2cc(F)c(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc21
• InChI: InChI=1S/C24H22Cl2FN3O2/c1-13-11-24(2,3)29(4)21-10-19(27)15(7-17(13)21)8-20-22(31)30(23(32)28-20)12-14-5-6-16(25)9-18(14)26/h5-11H,12H2,1-4H3,(H,28,32)/b20-8+
• InChIKey: VRFMHTLXOYIDEO-DNTJNYDQSA-N
• XLogP: 5.86
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.36
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (CID 50865627) is (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?

The canonical SMILES for (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is CC1=CC(C)(C)N(C)c2cc(F)c(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc21.

What is the InChIKey of (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?

The InChIKey is VRFMHTLXOYIDEO-DNTJNYDQSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O2/c1-13-11-24(2,3)29(4)21-10-19(27)15(7-17(13)21)8-20-22(31)30(23(32)28-20)12-14-5-6-16(25)9-18(14)26/h5-11H,12H2,1-4H3,(H,28,32)/b20-8+.

What are the key properties of (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?

(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 474.36 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 50865627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).