3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C18H14F2N2O4 — CID 155562908

IUPAC3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(C(=O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C18H14F2N2O4/c1-18(10-3-6-12(26-2)7-4-10)16(24)22(17(25)21-18)15(23)13-8-5-11(19)9-14(13)20/h3-9H,1-2H3,(H,21,25)
InChIKeyZLQUKMDFNABIIR-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.58
Rot. Bonds3

About 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 155562908) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID155562908
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC Name3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(C(=O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C18H14F2N2O4/c1-18(10-3-6-12(26-2)7-4-10)16(24)22(17(25)21-18)15(23)13-8-5-11(19)9-14(13)20/h3-9H,1-2H3,(H,21,25)
InChIKeyZLQUKMDFNABIIR-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 17484747
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 155531209
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95769523
3-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42982762
5-(4-fluorophenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17477743
N-(2-fluorophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40841028
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42937258
[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469619
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 155562908) is 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(C(=O)c3ccc(F)cc3F)C2=O)cc1.
What is the InChIKey of 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ZLQUKMDFNABIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c1-18(10-3-6-12(26-2)7-4-10)16(24)22(17(25)21-18)15(23)13-8-5-11(19)9-14(13)20/h3-9H,1-2H3,(H,21,25).
What are the key properties of 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 360.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorobenzoyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155562908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).