3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C12H15N3O2 — CID 5200341

IUPAC3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2ccc(N)cc2)C1=O
InChIInChI=1S/C12H15N3O2/c1-12(2)10(16)15(11(17)14-12)7-8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,17)
InChIKeyWLSLGPHSFHJLCO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.10
Rot. Bonds2

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

3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 5200341) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID5200341
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2ccc(N)cc2)C1=O
InChIInChI=1S/C12H15N3O2/c1-12(2)10(16)15(11(17)14-12)7-8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,17)
InChIKeyWLSLGPHSFHJLCO-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755094
2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile
CID 71899736
2-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
CID 169339198
3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43259753
3-[(5-amino-1,3-benzoxazol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79963974
[4-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxymethyl]phenyl]methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 42967491
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 46969235
(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98138035
3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79240493

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 5200341) is 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2ccc(N)cc2)C1=O.
What is the InChIKey of 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WLSLGPHSFHJLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2)10(16)15(11(17)14-12)7-8-3-5-9(13)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,17).
What are the key properties of 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 5200341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).