5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione

C30H28N2O4 — CID 4301529

About 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione

5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 4301529) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
• PubChem CID: 4301529
• Molecular Formula: C30H28N2O4
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.20
• IUPAC Name: 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
• SMILES: Cc1cc2oc(=O)cc(CN3C(=O)NC(Cc4ccccc4)(c4ccccc4)C3=O)c2cc1C(C)C
• InChI: InChI=1S/C30H28N2O4/c1-19(2)24-16-25-22(15-27(33)36-26(25)14-20(24)3)18-32-28(34)30(31-29(32)35,23-12-8-5-9-13-23)17-21-10-6-4-7-11-21/h4-16,19H,17-18H2,1-3H3,(H,31,35)
• InChIKey: WWRPSUXFVLBHDZ-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 79.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione?

The IUPAC name of 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 4301529) is 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione.

What is the SMILES notation for 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione?

The canonical SMILES for 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione is Cc1cc2oc(=O)cc(CN3C(=O)NC(Cc4ccccc4)(c4ccccc4)C3=O)c2cc1C(C)C.

What is the InChIKey of 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione?

The InChIKey is WWRPSUXFVLBHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-19(2)24-16-25-22(15-27(33)36-26(25)14-20(24)3)18-32-28(34)30(31-29(32)35,23-12-8-5-9-13-23)17-21-10-6-4-7-11-21/h4-16,19H,17-18H2,1-3H3,(H,31,35).

What are the key properties of 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione?

5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 480.56 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 4301529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).