1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione

C13H14N2O3 — CID 60836616

IUPAC1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)CN(C3CC3)C2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-18-11-6-4-10(5-7-11)15-12(16)8-14(13(15)17)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyJOLBHNJNCOOCNN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.63
Rot. Bonds3

About 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione

1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 60836616) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID60836616
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)CN(C3CC3)C2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-18-11-6-4-10(5-7-11)15-12(16)8-14(13(15)17)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyJOLBHNJNCOOCNN-UHFFFAOYSA-N
XLogP1.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 54924501
1-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 87022530
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 98116144
1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
CID 3401054
2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-3-one
CID 54072038
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 163356602
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
4-[4-(4-methoxyphenoxy)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 2939053
(3aR,5R,7aS)-2-(4-methoxyphenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7071405
(1S,2S,6S,7S)-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306216

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 60836616) is 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione is COc1ccc(N2C(=O)CN(C3CC3)C2=O)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is JOLBHNJNCOOCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-11-6-4-10(5-7-11)15-12(16)8-14(13(15)17)9-2-3-9/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione?
1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 60836616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).