5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione

C11H12ClN3O3 — CID 82305717

IUPAC5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C2(CN)NC(=O)NC2=O)c(Cl)c1
InChIInChI=1S/C11H12ClN3O3/c1-18-6-2-3-7(8(12)4-6)11(5-13)9(16)14-10(17)15-11/h2-4H,5,13H2,1H3,(H2,14,15,16,17)
InChIKeyZMRKPIPYNMOYGI-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.34
Rot. Bonds3

About 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione

5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 82305717) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID82305717
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C2(CN)NC(=O)NC2=O)c(Cl)c1
InChIInChI=1S/C11H12ClN3O3/c1-18-6-2-3-7(8(12)4-6)11(5-13)9(16)14-10(17)15-11/h2-4H,5,13H2,1H3,(H2,14,15,16,17)
InChIKeyZMRKPIPYNMOYGI-UHFFFAOYSA-N
XLogP0.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(4-Butoxyphenyl)-5-methyl-2,4-imidazolidinedione
CID 50211
5-(4-Methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 211351
4-(4-Ethoxyphenyl)-4-methyl-4H-imidazole-2,5-diol
CID 612934
5-(4-Methoxyphenyl)imidazolidine-2,4-dione
CID 265445
Hydantoin, 5-(p-pentoxyphenyl)-5-methyl-
CID 3052154
4-Methyl-4-(4-propoxyphenyl)-4H-imidazole-2,5-diol
CID 3052152
2,4-Imidazolidinedione, 5-(3-chloro-4-methoxyphenyl)-5-(4-methoxyphenyl)-
CID 3058197
5-Ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 4785584
5-Methyl-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 24695165
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4665952
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 5176535
2,4-Imidazolidinedione, 3,5-dimethyl-5-(4-methoxyphenyl)-
CID 3077544

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione (CID 82305717) is 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione is COc1ccc(C2(CN)NC(=O)NC2=O)c(Cl)c1.
What is the InChIKey of 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is ZMRKPIPYNMOYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-18-6-2-3-7(8(12)4-6)11(5-13)9(16)14-10(17)15-11/h2-4H,5,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione?
5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 269.69 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82305717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).