(5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione

C16H12N2O3 — CID 11150184

IUPAC(5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)N1
InChIInChI=1S/C16H12N2O3/c19-15-14(17-16(20)18-15)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-10H,(H2,17,18,19,20)/b14-10-
InChIKeySTUDWTHTZPTRTC-UVTDQMKNSA-N
MW280.28 g/mol
LogP2.66
Rot. Bonds3

About (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 11150184) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID11150184
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)N1
InChIInChI=1S/C16H12N2O3/c19-15-14(17-16(20)18-15)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-10H,(H2,17,18,19,20)/b14-10-
InChIKeySTUDWTHTZPTRTC-UVTDQMKNSA-N
XLogP2.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 11150184) is (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)N1.
What is the InChIKey of (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is STUDWTHTZPTRTC-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-14(17-16(20)18-15)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-10H,(H2,17,18,19,20)/b14-10-.
What are the key properties of (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 280.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-phenoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 11150184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).