3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione

C18H12Cl2F4N2O3 — CID 18682482

IUPAC3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1c(F)c(F)c(CC2(C)NC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)c(F)c1F
InChIInChI=1S/C18H12Cl2F4N2O3/c1-18(6-10-11(21)13(23)15(29-2)14(24)12(10)22)16(27)26(17(28)25-18)9-4-7(19)3-8(20)5-9/h3-5H,6H2,1-2H3,(H,25,28)
InChIKeyLVXQAWPXOCGIGL-UHFFFAOYSA-N
MW451.20 g/mol
LogP4.62
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione

3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 18682482) has the molecular formula C18H12Cl2F4N2O3 and a molecular weight of 451.20 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID18682482
Molecular FormulaC18H12Cl2F4N2O3
Molecular Weight451.20 g/mol
Exact Mass450.02
IUPAC Name3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1c(F)c(F)c(CC2(C)NC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)c(F)c1F
InChIInChI=1S/C18H12Cl2F4N2O3/c1-18(6-10-11(21)13(23)15(29-2)14(24)12(10)22)16(27)26(17(28)25-18)9-4-7(19)3-8(20)5-9/h3-5H,6H2,1-2H3,(H,25,28)
InChIKeyLVXQAWPXOCGIGL-UHFFFAOYSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione (CID 18682482) is 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione is COc1c(F)c(F)c(CC2(C)NC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)c(F)c1F.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is LVXQAWPXOCGIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F4N2O3/c1-18(6-10-11(21)13(23)15(29-2)14(24)12(10)22)16(27)26(17(28)25-18)9-4-7(19)3-8(20)5-9/h3-5H,6H2,1-2H3,(H,25,28).
What are the key properties of 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 451.20 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-methyl-5-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18682482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).