5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione

C12H13N3O5 — CID 62479854

IUPAC5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione
SMILESCOCCC1NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C12H13N3O5/c1-20-6-5-10-11(16)14(12(17)13-10)8-3-2-4-9(7-8)15(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,17)
InChIKeyHMJYECYLDXBTFZ-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.06
Rot. Bonds5

About 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione

5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 62479854) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione
PubChem CID62479854
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione
SMILESCOCCC1NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C12H13N3O5/c1-20-6-5-10-11(16)14(12(17)13-10)8-3-2-4-9(7-8)15(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,17)
InChIKeyHMJYECYLDXBTFZ-UHFFFAOYSA-N
XLogP1.06
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.06
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'}

Analyze 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 62478434
5-methyl-3-(3-nitrophenyl)-1,3-diazepane-2,4-dione
CID 80541001
(1S,2S,6S,7R)-4-(3-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 11870018
(1R,2R,6R,7R)-4-(3-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98420145
(3aR,7aS)-2-(3-nitrophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2245221
(3aS,4R,7R,7aS)-4,7-dimethyl-2-(3-nitrophenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98068596
1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione
CID 62637979
(1S,2S,6S,7S)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306191
(3aR,4S,7R,7aR)-2-(3-nitrophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51579929
5-methyl-3-(3-nitrophenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 46838653
(1R,2S,6S,7R)-4-(3-nitrophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 124718118
(1S,2S,6R,7S)-8-methyl-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1313242

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione (CID 62479854) is 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione is COCCC1NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is HMJYECYLDXBTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-20-6-5-10-11(16)14(12(17)13-10)8-3-2-4-9(7-8)15(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,17).
What are the key properties of 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione?
5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 279.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-(3-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 62479854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).