1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione

C12H15N3O2 — CID 143942991

IUPAC1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione
SMILESCNc1ccc(C)c(N2C(=O)CN(C)C2=O)c1
InChIInChI=1S/C12H15N3O2/c1-8-4-5-9(13-2)6-10(8)15-11(16)7-14(3)12(15)17/h4-6,13H,7H2,1-3H3
InChIKeyXIBJFWVQZIHDOA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.44
Rot. Bonds2

About 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione

1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione (PubChem CID 143942991) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione
PubChem CID143942991
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione
SMILESCNc1ccc(C)c(N2C(=O)CN(C)C2=O)c1
InChIInChI=1S/C12H15N3O2/c1-8-4-5-9(13-2)6-10(8)15-11(16)7-14(3)12(15)17/h4-6,13H,7H2,1-3H3
InChIKeyXIBJFWVQZIHDOA-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione (CID 143942991) is 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione is CNc1ccc(C)c(N2C(=O)CN(C)C2=O)c1.
What is the InChIKey of 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione?
The InChIKey is XIBJFWVQZIHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-4-5-9(13-2)6-10(8)15-11(16)7-14(3)12(15)17/h4-6,13H,7H2,1-3H3.
What are the key properties of 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione?
1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143942991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).