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

C23H23ClN4O4 — CID 154808853

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

3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 154808853) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 154808853
• Molecular Formula: C23H23ClN4O4
• Molecular Weight: 454.91 g/mol
• Exact Mass: 454.14
• IUPAC Name: 3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione
• SMILES: O=C(CC1NC(=O)N(Cc2cccc(Cl)c2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2
• InChI: InChI=1S/C23H23ClN4O4/c24-17-4-1-3-14(8-17)11-28-22(31)18(25-23(28)32)9-21(30)26-10-15-7-16(13-26)19-5-2-6-20(29)27(19)12-15/h1-6,8,15-16,18H,7,9-13H2,(H,25,32)/t15-,16+,18?/m1/s1
• InChIKey: LFIBIVLDUYTWNC-LNKXUWQBSA-N
• XLogP: 1.96
• TPSA: 91.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.91
LogP ≤ 5	1.96
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 3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione (CID 154808853) is 3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione is O=C(CC1NC(=O)N(Cc2cccc(Cl)c2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2.

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

The InChIKey is LFIBIVLDUYTWNC-LNKXUWQBSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c24-17-4-1-3-14(8-17)11-28-22(31)18(25-23(28)32)9-21(30)26-10-15-7-16(13-26)19-5-2-6-20(29)27(19)12-15/h1-6,8,15-16,18H,7,9-13H2,(H,25,32)/t15-,16+,18?/m1/s1.

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

3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 454.91 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chlorophenyl)methyl]-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 154808853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).