(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

C26H19FN4O4 — CID 126025581

About (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 126025581) has the molecular formula C26H19FN4O4 and a molecular weight of 470.46 g/mol. Its IUPAC name is (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
• PubChem CID: 126025581
• Molecular Formula: C26H19FN4O4
• Molecular Weight: 470.46 g/mol
• Exact Mass: 470.14
• IUPAC Name: (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
• SMILES: O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C26H19FN4O4/c27-20-10-8-17(9-11-20)15-30-25(32)23(28-26(30)33)13-19-16-29(24-7-2-1-6-22(19)24)14-18-4-3-5-21(12-18)31(34)35/h1-13,16H,14-15H2,(H,28,33)/b23-13+
• InChIKey: ZWWGAHRDPWOBOS-YDZHTSKRSA-N
• XLogP: 4.83
• TPSA: 97.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.46
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (CID 126025581) is (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?

The canonical SMILES for (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1.

What is the InChIKey of (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?

The InChIKey is ZWWGAHRDPWOBOS-YDZHTSKRSA-N. The full InChI is InChI=1S/C26H19FN4O4/c27-20-10-8-17(9-11-20)15-30-25(32)23(28-26(30)33)13-19-16-29(24-7-2-1-6-22(19)24)14-18-4-3-5-21(12-18)31(34)35/h1-13,16H,14-15H2,(H,28,33)/b23-13+.

What are the key properties of (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?

(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 470.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-[(4-fluorophenyl)methyl]-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126025581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).