(5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

C24H26N4O4 — CID 99871130

About (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 99871130) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
• PubChem CID: 99871130
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
• SMILES: O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2
• InChI: InChI=1S/C24H26N4O4/c29-21-8-4-7-20-18-11-17(14-28(20)21)13-26(15-18)22(30)12-19-23(31)27(24(32)25-19)10-9-16-5-2-1-3-6-16/h1-8,17-19H,9-15H2,(H,25,32)/t17-,18+,19-/m1/s1
• InChIKey: NHGHBNKVDAJCBM-CEXWTWQISA-N
• XLogP: 1.35
• TPSA: 91.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (CID 99871130) is (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2.

What is the InChIKey of (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?

The InChIKey is NHGHBNKVDAJCBM-CEXWTWQISA-N. The full InChI is InChI=1S/C24H26N4O4/c29-21-8-4-7-20-18-11-17(14-28(20)21)13-26(15-18)22(30)12-19-23(31)27(24(32)25-19)10-9-16-5-2-1-3-6-16/h1-8,17-19H,9-15H2,(H,25,32)/t17-,18+,19-/m1/s1.

What are the key properties of (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?

(5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 434.50 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 99871130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).