(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione

C28H26N2O4 — CID 126213188

About (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126213188) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
• PubChem CID: 126213188
• Molecular Formula: C28H26N2O4
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.19
• IUPAC Name: (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
• SMILES: C=CCc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCc1ccccc1
• InChI: InChI=1S/C28H26N2O4/c1-3-10-23-15-22(17-25(33-2)26(23)34-19-21-13-8-5-9-14-21)16-24-27(31)30(28(32)29-24)18-20-11-6-4-7-12-20/h3-9,11-17H,1,10,18-19H2,2H3,(H,29,32)/b24-16-
• InChIKey: RRTWLLLWQRYLQU-JLPGSUDCSA-N
• XLogP: 5.10
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione (CID 126213188) is (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?

The canonical SMILES for (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione is C=CCc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCc1ccccc1.

What is the InChIKey of (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?

The InChIKey is RRTWLLLWQRYLQU-JLPGSUDCSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-3-10-23-15-22(17-25(33-2)26(23)34-19-21-13-8-5-9-14-21)16-24-27(31)30(28(32)29-24)18-20-11-6-4-7-12-20/h3-9,11-17H,1,10,18-19H2,2H3,(H,29,32)/b24-16-.

What are the key properties of (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?

(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 454.53 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126213188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).