3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione

C19H15BrCl2N2O3 — CID 2910779

About 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione

3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2910779) has the molecular formula C19H15BrCl2N2O3 and a molecular weight of 470.15 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
• PubChem CID: 2910779
• Molecular Formula: C19H15BrCl2N2O3
• Molecular Weight: 470.15 g/mol
• Exact Mass: 467.96
• IUPAC Name: 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
• SMILES: CCOc1c(Cl)cc(C=C2NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1Cl
• InChI: InChI=1S/C19H15BrCl2N2O3/c1-2-27-17-14(21)7-12(8-15(17)22)9-16-18(25)24(19(26)23-16)10-11-3-5-13(20)6-4-11/h3-9H,2,10H2,1H3,(H,23,26)
• InChIKey: FDBUXECNVHQIES-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.15
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione?

The IUPAC name of 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 2910779) is 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione?

The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione is CCOc1c(Cl)cc(C=C2NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1Cl.

What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione?

The InChIKey is FDBUXECNVHQIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrCl2N2O3/c1-2-27-17-14(21)7-12(8-15(17)22)9-16-18(25)24(19(26)23-16)10-11-3-5-13(20)6-4-11/h3-9H,2,10H2,1H3,(H,23,26).

What are the key properties of 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione?

3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 470.15 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2910779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).