5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione

C9H6Cl2N2O3 — CID 12901633

IUPAC5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc(Cl)cc(Cl)c2O)N1
InChIInChI=1S/C9H6Cl2N2O3/c10-3-1-4(7(14)5(11)2-3)6-8(15)13-9(16)12-6/h1-2,6,14H,(H2,12,13,15,16)
InChIKeyMPBNQNCVTWLCKM-UHFFFAOYSA-N
MW261.06 g/mol
LogP1.58
Rot. Bonds1

About 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione

5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione (PubChem CID 12901633) has the molecular formula C9H6Cl2N2O3 and a molecular weight of 261.06 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione
PubChem CID12901633
Molecular FormulaC9H6Cl2N2O3
Molecular Weight261.06 g/mol
Exact Mass259.98
IUPAC Name5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc(Cl)cc(Cl)c2O)N1
InChIInChI=1S/C9H6Cl2N2O3/c10-3-1-4(7(14)5(11)2-3)6-8(15)13-9(16)12-6/h1-2,6,14H,(H2,12,13,15,16)
InChIKeyMPBNQNCVTWLCKM-UHFFFAOYSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione (CID 12901633) is 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2cc(Cl)cc(Cl)c2O)N1.
What is the InChIKey of 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione?
The InChIKey is MPBNQNCVTWLCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O3/c10-3-1-4(7(14)5(11)2-3)6-8(15)13-9(16)12-6/h1-2,6,14H,(H2,12,13,15,16).
What are the key properties of 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione?
5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione has a molecular weight of 261.06 g/mol, XLogP of 1.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 12901633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).