(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione

C25H25Cl2IN2O4 — CID 126097230

About (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione

(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126097230) has the molecular formula C25H25Cl2IN2O4 and a molecular weight of 615.30 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
• PubChem CID: 126097230
• Molecular Formula: C25H25Cl2IN2O4
• Molecular Weight: 615.30 g/mol
• Exact Mass: 614.02
• IUPAC Name: (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
• SMILES: CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C25H25Cl2IN2O4/c1-2-33-22-12-15(10-20(28)23(22)34-14-16-8-9-17(26)13-19(16)27)11-21-24(31)30(25(32)29-21)18-6-4-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,29,32)/b21-11-
• InChIKey: QYWYOPNNJYWTJD-NHDPSOOVSA-N
• XLogP: 6.80
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.30
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione (CID 126097230) is (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione?

The canonical SMILES for (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione is CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione?

The InChIKey is QYWYOPNNJYWTJD-NHDPSOOVSA-N. The full InChI is InChI=1S/C25H25Cl2IN2O4/c1-2-33-22-12-15(10-20(28)23(22)34-14-16-8-9-17(26)13-19(16)27)11-21-24(31)30(25(32)29-21)18-6-4-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,29,32)/b21-11-.

What are the key properties of (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione?

(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 615.30 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126097230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).