3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione

C12H15N3O2 — CID 82147805

IUPAC3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2NC(=O)N(CCN)C2=O)cc1
InChIInChI=1S/C12H15N3O2/c1-8-2-4-9(5-3-8)10-11(16)15(7-6-13)12(17)14-10/h2-5,10H,6-7,13H2,1H3,(H,14,17)
InChIKeyMKDDTJHRRLBTDM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.55
Rot. Bonds3

About 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione

3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 82147805) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID82147805
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2NC(=O)N(CCN)C2=O)cc1
InChIInChI=1S/C12H15N3O2/c1-8-2-4-9(5-3-8)10-11(16)15(7-6-13)12(17)14-10/h2-5,10H,6-7,13H2,1H3,(H,14,17)
InChIKeyMKDDTJHRRLBTDM-UHFFFAOYSA-N
XLogP0.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
CID 82149111
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 82079805
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
3-(2-amino-2-methylpropyl)-5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 82148514
5-phenyl-3-(2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 84572821
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione
CID 84571229
3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 82148999
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 82147805) is 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2NC(=O)N(CCN)C2=O)cc1.
What is the InChIKey of 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is MKDDTJHRRLBTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-2-4-9(5-3-8)10-11(16)15(7-6-13)12(17)14-10/h2-5,10H,6-7,13H2,1H3,(H,14,17).
What are the key properties of 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82147805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).