5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione

C10H9N3O5 — CID 24975145

IUPAC5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C(O)c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C10H9N3O5/c14-8(7-9(15)12-10(16)11-7)5-1-3-6(4-2-5)13(17)18/h1-4,7-8,14H,(H2,11,12,15,16)
InChIKeyXGXXSBJMESSINU-UHFFFAOYSA-N
MW251.20 g/mol
LogP-0.16
Rot. Bonds3

About 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione

5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 24975145) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID24975145
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C(O)c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C10H9N3O5/c14-8(7-9(15)12-10(16)11-7)5-1-3-6(4-2-5)13(17)18/h1-4,7-8,14H,(H2,11,12,15,16)
InChIKeyXGXXSBJMESSINU-UHFFFAOYSA-N
XLogP-0.16
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 24975145) is 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(C(O)c2ccc([N+](=O)[O-])cc2)N1.
What is the InChIKey of 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is XGXXSBJMESSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c14-8(7-9(15)12-10(16)11-7)5-1-3-6(4-2-5)13(17)18/h1-4,7-8,14H,(H2,11,12,15,16).
What are the key properties of 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 251.20 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(4-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24975145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).