3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione

C12H15N3O2 — CID 28824030

IUPAC3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2cccc(CN)c2)C1=O
InChIInChI=1S/C12H15N3O2/c1-14-8-11(16)15(12(14)17)7-10-4-2-3-9(5-10)6-13/h2-5H,6-8,13H2,1H3
InChIKeySITJDFHYMMYMHE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.54
Rot. Bonds3

About 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione

3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 28824030) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
PubChem CID28824030
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2cccc(CN)c2)C1=O
InChIInChI=1S/C12H15N3O2/c1-14-8-11(16)15(12(14)17)7-10-4-2-3-9(5-10)6-13/h2-5H,6-8,13H2,1H3
InChIKeySITJDFHYMMYMHE-UHFFFAOYSA-N
XLogP0.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.54
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 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione (CID 28824030) is 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2cccc(CN)c2)C1=O.
What is the InChIKey of 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is SITJDFHYMMYMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-8-11(16)15(12(14)17)7-10-4-2-3-9(5-10)6-13/h2-5H,6-8,13H2,1H3.
What are the key properties of 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione?
3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 28824030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).