1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione

C12H7ClN2O3 — CID 125478467

IUPAC1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione
SMILESC#CCN1C(=O)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H7ClN2O3/c1-2-7-14-10(16)11(17)15(12(14)18)9-5-3-8(13)4-6-9/h1,3-6H,7H2
InChIKeyDOZMJJGHVFJENQ-UHFFFAOYSA-N
MW262.65 g/mol
LogP1.27
Rot. Bonds2

About 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione

1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione (PubChem CID 125478467) has the molecular formula C12H7ClN2O3 and a molecular weight of 262.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione
PubChem CID125478467
Molecular FormulaC12H7ClN2O3
Molecular Weight262.65 g/mol
Exact Mass262.01
IUPAC Name1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione
SMILESC#CCN1C(=O)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H7ClN2O3/c1-2-7-14-10(16)11(17)15(12(14)18)9-5-3-8(13)4-6-9/h1,3-6H,7H2
InChIKeyDOZMJJGHVFJENQ-UHFFFAOYSA-N
XLogP1.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 51.27
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione (CID 125478467) is 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione is C#CCN1C(=O)C(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione?
The InChIKey is DOZMJJGHVFJENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3/c1-2-7-14-10(16)11(17)15(12(14)18)9-5-3-8(13)4-6-9/h1,3-6H,7H2.
What are the key properties of 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione?
1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione has a molecular weight of 262.65 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-prop-2-ynylimidazolidine-2,4,5-trione is sourced from PubChem (CID 125478467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).