5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione

C11H13N3O2 — CID 122156928

IUPAC5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(C)(c2ccc(N)cc2)C1=O
InChIInChI=1S/C11H13N3O2/c1-11(7-3-5-8(12)6-4-7)9(15)14(2)10(16)13-11/h3-6H,12H2,1-2H3,(H,13,16)
InChIKeyJECMGCYXCUNLQH-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.67
Rot. Bonds1

About 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione

5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 122156928) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione
PubChem CID122156928
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(C)(c2ccc(N)cc2)C1=O
InChIInChI=1S/C11H13N3O2/c1-11(7-3-5-8(12)6-4-7)9(15)14(2)10(16)13-11/h3-6H,12H2,1-2H3,(H,13,16)
InChIKeyJECMGCYXCUNLQH-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mephenytoin
CID 4060
Nirvanol
CID 91480
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 640021
Mephenytoin, (+)-
CID 107921
5-Phenyl-5-propylimidazolidine-2,4-dione
CID 219572
(+)-Nirvanol
CID 6540813
5-Methyl-5-phenylhydantoin
CID 93043
Methetoin
CID 21908
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
5-Methyl-5-(4-nitro-phenyl)-imidazolidine-2,4-dione
CID 3119445
(5S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione
CID 16212234

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione (CID 122156928) is 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione is CN1C(=O)NC(C)(c2ccc(N)cc2)C1=O.
What is the InChIKey of 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is JECMGCYXCUNLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(7-3-5-8(12)6-4-7)9(15)14(2)10(16)13-11/h3-6H,12H2,1-2H3,(H,13,16).
What are the key properties of 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione?
5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 122156928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).