1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione

C14H13ClN2O3 — CID 129370846

IUPAC1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESC=C(Cl)CN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C14H13ClN2O3/c1-9(15)8-16-12(18)13(19)17(14(16)20)10(2)11-6-4-3-5-7-11/h3-7,10H,1,8H2,2H3/t10-/m0/s1
InChIKeyIURKWSREHHDBFM-JTQLQIEISA-N
MW292.72 g/mol
LogP2.29
Rot. Bonds4

About 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione

1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione (PubChem CID 129370846) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
PubChem CID129370846
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESC=C(Cl)CN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C14H13ClN2O3/c1-9(15)8-16-12(18)13(19)17(14(16)20)10(2)11-6-4-3-5-7-11/h3-7,10H,1,8H2,2H3/t10-/m0/s1
InChIKeyIURKWSREHHDBFM-JTQLQIEISA-N
XLogP2.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione (CID 129370846) is 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione is C=C(Cl)CN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione?
The InChIKey is IURKWSREHHDBFM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9(15)8-16-12(18)13(19)17(14(16)20)10(2)11-6-4-3-5-7-11/h3-7,10H,1,8H2,2H3/t10-/m0/s1.
What are the key properties of 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione?
1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione has a molecular weight of 292.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 129370846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).