3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione

C13H16N4O5 — CID 5234134

IUPAC3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc([N+](=O)[O-])cc1NCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H16N4O5/c1-13(2)11(18)16(12(19)15-13)7-14-9-6-8(17(20)21)4-5-10(9)22-3/h4-6,14H,7H2,1-3H3,(H,15,19)
InChIKeyYXHPXIMHIYWOSI-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.30
Rot. Bonds5

About 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 5234134) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID5234134
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc([N+](=O)[O-])cc1NCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H16N4O5/c1-13(2)11(18)16(12(19)15-13)7-14-9-6-8(17(20)21)4-5-10(9)22-3/h4-6,14H,7H2,1-3H3,(H,15,19)
InChIKeyYXHPXIMHIYWOSI-UHFFFAOYSA-N
XLogP1.30
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-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

5,5-Dimethyl-3-[2-(4-nitrophenoxy)ethyl]-2,4-imidazolidinedione
CID 973553
1-(2-Methoxy-5-nitrophenyl)-3-phenylurea
CID 832985
2-[4-(dimethylamino)anilino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4056509
[1-(2-Methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 24818065
N-(2-methoxy-5-nitrophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 719550
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]acetamide
CID 974383
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]pentanamide
CID 2224147
3-[3-(2,4-Dinitrophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 3318733
N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 3776854
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 2225699
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 1258398
N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylpropanamide
CID 4576152

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 5234134) is 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccc([N+](=O)[O-])cc1NCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YXHPXIMHIYWOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5/c1-13(2)11(18)16(12(19)15-13)7-14-9-6-8(17(20)21)4-5-10(9)22-3/h4-6,14H,7H2,1-3H3,(H,15,19).
What are the key properties of 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 308.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-nitroanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 5234134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).