3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione

C10H9N3O5 — CID 107842288

IUPAC3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione
SMILESCOc1cc([N+](=O)[O-])ccc1N1C(=O)CNC1=O
InChIInChI=1S/C10H9N3O5/c1-18-8-4-6(13(16)17)2-3-7(8)12-9(14)5-11-10(12)15/h2-4H,5H2,1H3,(H,11,15)
InChIKeyUQBUNFRFIACIEV-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.66
Rot. Bonds3

About 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione

3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 107842288) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID107842288
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione
SMILESCOc1cc([N+](=O)[O-])ccc1N1C(=O)CNC1=O
InChIInChI=1S/C10H9N3O5/c1-18-8-4-6(13(16)17)2-3-7(8)12-9(14)5-11-10(12)15/h2-4H,5H2,1H3,(H,11,15)
InChIKeyUQBUNFRFIACIEV-UHFFFAOYSA-N
XLogP0.66
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
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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Related Compounds

(3S,5S)-1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 99966472
1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 91679307
(1S,2S,6S,7S)-4-(2-methoxy-4-nitrophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98069170
4-(2-methoxy-4-nitrophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 2860885
(3S,4S)-1-(2-methoxy-4-nitrophenyl)pyrrolidine-3,4-diol
CID 58386081
2-(2-methoxy-4-nitrophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 67060270
1-(2-methoxy-4-nitrophenyl)imidazole
CID 22459644
4-ethynyl-1-(2-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 168500823
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383
3-(2-amino-4-methoxyphenyl)imidazolidine-2,4-dione
CID 107841907
3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one
CID 59410145
2-methoxy-4-nitrobenzaldehyde
CID 2759599

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione (CID 107842288) is 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione is COc1cc([N+](=O)[O-])ccc1N1C(=O)CNC1=O.
What is the InChIKey of 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is UQBUNFRFIACIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c1-18-8-4-6(13(16)17)2-3-7(8)12-9(14)5-11-10(12)15/h2-4H,5H2,1H3,(H,11,15).
What are the key properties of 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione?
3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 251.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 107842288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).