3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione

C12H11ClN2O2 — CID 79285648

IUPAC3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H11ClN2O2/c1-2-6-14-8-11(16)15(12(14)17)10-5-3-4-9(13)7-10/h2-5,7H,1,6,8H2
InChIKeyMGJYJGZZKUOQOI-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.29
Rot. Bonds3

About 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione

3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione (PubChem CID 79285648) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione
PubChem CID79285648
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H11ClN2O2/c1-2-6-14-8-11(16)15(12(14)17)10-5-3-4-9(13)7-10/h2-5,7H,1,6,8H2
InChIKeyMGJYJGZZKUOQOI-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 79286115
3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione
CID 54924311
3-(3-aminophenyl)-1-(3-chlorophenyl)imidazolidine-2,4-dione
CID 60835954
3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 97455638
3-[3-(aminomethyl)phenyl]-1-ethylimidazolidine-2,4-dione
CID 80578981
3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 79266137
8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167435
1-(2-methoxyethyl)-3-(3-methoxyphenyl)imidazolidine-2,4-dione
CID 79280992
3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione
CID 19849569
1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one
CID 67862023
3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4164982
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione (CID 79285648) is 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione is C=CCN1CC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is MGJYJGZZKUOQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-6-14-8-11(16)15(12(14)17)10-5-3-4-9(13)7-10/h2-5,7H,1,6,8H2.
What are the key properties of 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione?
3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 250.69 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 79285648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).