1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione

C16H12N4O4 — CID 171043524

IUPAC1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)N(/N=C/c2ccc([N+](=O)[O-])cc2)C1c1ccccc1
InChIInChI=1S/C16H12N4O4/c21-15-14(12-4-2-1-3-5-12)19(16(22)18-15)17-10-11-6-8-13(9-7-11)20(23)24/h1-10,14H,(H,18,21,22)/b17-10+
InChIKeyFGGXRIYRYYJIDT-LICLKQGHSA-N
MW324.30 g/mol
LogP2.22
Rot. Bonds4

About 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione

1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione (PubChem CID 171043524) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
PubChem CID171043524
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)N(/N=C/c2ccc([N+](=O)[O-])cc2)C1c1ccccc1
InChIInChI=1S/C16H12N4O4/c21-15-14(12-4-2-1-3-5-12)19(16(22)18-15)17-10-11-6-8-13(9-7-11)20(23)24/h1-10,14H,(H,18,21,22)/b17-10+
InChIKeyFGGXRIYRYYJIDT-LICLKQGHSA-N
XLogP2.22
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione (CID 171043524) is 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione is O=C1NC(=O)N(/N=C/c2ccc([N+](=O)[O-])cc2)C1c1ccccc1.
What is the InChIKey of 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The InChIKey is FGGXRIYRYYJIDT-LICLKQGHSA-N. The full InChI is InChI=1S/C16H12N4O4/c21-15-14(12-4-2-1-3-5-12)19(16(22)18-15)17-10-11-6-8-13(9-7-11)20(23)24/h1-10,14H,(H,18,21,22)/b17-10+.
What are the key properties of 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione has a molecular weight of 324.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-nitrophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 171043524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).