3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione

C11H13N3O3 — CID 81149806

IUPAC3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cc(N)cc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C11H13N3O3/c1-17-9-3-7(2-8(12)4-9)6-14-10(15)5-13-11(14)16/h2-4H,5-6,12H2,1H3,(H,13,16)
InChIKeyYAJGGEISMGHVJL-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.33
Rot. Bonds3

About 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione

3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 81149806) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID81149806
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cc(N)cc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C11H13N3O3/c1-17-9-3-7(2-8(12)4-9)6-14-10(15)5-13-11(14)16/h2-4H,5-6,12H2,1H3,(H,13,16)
InChIKeyYAJGGEISMGHVJL-UHFFFAOYSA-N
XLogP0.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione (CID 81149806) is 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione is COc1cc(N)cc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is YAJGGEISMGHVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-9-3-7(2-8(12)4-9)6-14-10(15)5-13-11(14)16/h2-4H,5-6,12H2,1H3,(H,13,16).
What are the key properties of 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione?
3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 81149806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).