1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione

C16H12Cl2N2O3 — CID 68892013

IUPAC1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(O)cc2)C(=O)NC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O3/c1-16(9-2-5-11(21)6-3-9)14(22)19-15(23)20(16)10-4-7-12(17)13(18)8-10/h2-8,21H,1H3,(H,19,22,23)
InChIKeyPCFLVEQUYHIUCN-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.67
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione

1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 68892013) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID68892013
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(O)cc2)C(=O)NC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O3/c1-16(9-2-5-11(21)6-3-9)14(22)19-15(23)20(16)10-4-7-12(17)13(18)8-10/h2-8,21H,1H3,(H,19,22,23)
InChIKeyPCFLVEQUYHIUCN-UHFFFAOYSA-N
XLogP3.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione (CID 68892013) is 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(O)cc2)C(=O)NC(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PCFLVEQUYHIUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c1-16(9-2-5-11(21)6-3-9)14(22)19-15(23)20(16)10-4-7-12(17)13(18)8-10/h2-8,21H,1H3,(H,19,22,23).
What are the key properties of 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 351.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 68892013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).