5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione

C13H17N3O2 — CID 82295798

IUPAC5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
SMILESCc1ccc(C2(CN)NC(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C13H17N3O2/c1-8-4-5-10(9(2)6-8)13(7-14)11(17)16(3)12(18)15-13/h4-6H,7,14H2,1-3H3,(H,15,18)
InChIKeyQVNVAKGMRFNFCO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.64
Rot. Bonds2

About 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione

5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione (PubChem CID 82295798) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
PubChem CID82295798
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
SMILESCc1ccc(C2(CN)NC(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C13H17N3O2/c1-8-4-5-10(9(2)6-8)13(7-14)11(17)16(3)12(18)15-13/h4-6H,7,14H2,1-3H3,(H,15,18)
InChIKeyQVNVAKGMRFNFCO-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
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 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione (CID 82295798) is 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione is Cc1ccc(C2(CN)NC(=O)N(C)C2=O)c(C)c1.
What is the InChIKey of 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione?
The InChIKey is QVNVAKGMRFNFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-4-5-10(9(2)6-8)13(7-14)11(17)16(3)12(18)15-13/h4-6H,7,14H2,1-3H3,(H,15,18).
What are the key properties of 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione?
5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione has a molecular weight of 247.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 82295798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).