5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione

C17H16N2O3 — CID 132648826

IUPAC5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cccc(OCc3ccccc3)c2)N1
InChIInChI=1S/C17H16N2O3/c20-16-15(18-17(21)19-16)10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,18,19,20,21)
InChIKeyCOSZMEIADUCINT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.02
Rot. Bonds5

About 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione

5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 132648826) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID132648826
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cccc(OCc3ccccc3)c2)N1
InChIInChI=1S/C17H16N2O3/c20-16-15(18-17(21)19-16)10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,18,19,20,21)
InChIKeyCOSZMEIADUCINT-UHFFFAOYSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione (CID 132648826) is 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2cccc(OCc3ccccc3)c2)N1.
What is the InChIKey of 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is COSZMEIADUCINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16-15(18-17(21)19-16)10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,18,19,20,21).
What are the key properties of 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione?
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 132648826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).