1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione

C20H20Cl2N2O4 — CID 24785831

IUPAC1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione
SMILESCOc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1C(C)(C)C
InChIInChI=1S/C20H20Cl2N2O4/c1-20(2,3)13-9-12(5-6-16(13)27-4)28-18-14(21)7-11(8-15(18)22)24-10-17(25)23-19(24)26/h5-9H,10H2,1-4H3,(H,23,25,26)
InChIKeyKSIUYUMECGQVMI-UHFFFAOYSA-N
MW423.30 g/mol
LogP5.15
Rot. Bonds4

About 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione

1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione (PubChem CID 24785831) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione
PubChem CID24785831
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione
SMILESCOc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1C(C)(C)C
InChIInChI=1S/C20H20Cl2N2O4/c1-20(2,3)13-9-12(5-6-16(13)27-4)28-18-14(21)7-11(8-15(18)22)24-10-17(25)23-19(24)26/h5-9H,10H2,1-4H3,(H,23,25,26)
InChIKeyKSIUYUMECGQVMI-UHFFFAOYSA-N
XLogP5.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione (CID 24785831) is 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione is COc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1C(C)(C)C.
What is the InChIKey of 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione?
The InChIKey is KSIUYUMECGQVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c1-20(2,3)13-9-12(5-6-16(13)27-4)28-18-14(21)7-11(8-15(18)22)24-10-17(25)23-19(24)26/h5-9H,10H2,1-4H3,(H,23,25,26).
What are the key properties of 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione?
1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione has a molecular weight of 423.30 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24785831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).