(5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

C23H24ClN3O4 — CID 126103105

About (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126103105) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
• PubChem CID: 126103105
• Molecular Formula: C23H24ClN3O4
• Molecular Weight: 441.92 g/mol
• Exact Mass: 441.15
• IUPAC Name: (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
• SMILES: COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O
• InChI: InChI=1S/C23H24ClN3O4/c1-30-20-13-19(26-9-3-4-10-26)21(31-2)12-16(20)11-18-22(28)27(23(29)25-18)14-15-5-7-17(24)8-6-15/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,25,29)/b18-11-
• InChIKey: KZCCOJJPBUDBTA-WQRHYEAKSA-N
• XLogP: 4.05
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.92
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 126103105) is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?

The canonical SMILES for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O.

What is the InChIKey of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?

The InChIKey is KZCCOJJPBUDBTA-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-30-20-13-19(26-9-3-4-10-26)21(31-2)12-16(20)11-18-22(28)27(23(29)25-18)14-15-5-7-17(24)8-6-15/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,25,29)/b18-11-.

What are the key properties of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 441.92 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126103105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).