(5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione

C26H19BrClN3O2 — CID 126179444

About (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione

(5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 126179444) has the molecular formula C26H19BrClN3O2 and a molecular weight of 520.81 g/mol. Its IUPAC name is (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
• PubChem CID: 126179444
• Molecular Formula: C26H19BrClN3O2
• Molecular Weight: 520.81 g/mol
• Exact Mass: 519.03
• IUPAC Name: (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
• SMILES: Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1
• InChI: InChI=1S/C26H19BrClN3O2/c1-16-22(14-23-25(32)31(26(33)29-23)20-12-10-19(28)11-13-20)21-4-2-3-5-24(21)30(16)15-17-6-8-18(27)9-7-17/h2-14H,15H2,1H3,(H,29,33)/b23-14+
• InChIKey: LMHVGKSWJSOGHC-OEAKJJBVSA-N
• XLogP: 6.51
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.81
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_F(8)', '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 (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (CID 126179444) is (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1.

What is the InChIKey of (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?

The InChIKey is LMHVGKSWJSOGHC-OEAKJJBVSA-N. The full InChI is InChI=1S/C26H19BrClN3O2/c1-16-22(14-23-25(32)31(26(33)29-23)20-12-10-19(28)11-13-20)21-4-2-3-5-24(21)30(16)15-17-6-8-18(27)9-7-17/h2-14H,15H2,1H3,(H,29,33)/b23-14+.

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

(5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 520.81 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126179444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).