1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione

C18H12F2N2O5 — CID 8597488

IUPAC1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)c3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C18H12F2N2O5/c1-27-12-5-3-11(4-6-12)22-17(25)16(24)21(18(22)26)9-15(23)10-2-7-13(19)14(20)8-10/h2-8H,9H2,1H3
InChIKeyQCHGWHAGWPGRQU-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione

1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 8597488) has the molecular formula C18H12F2N2O5 and a molecular weight of 374.30 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID8597488
Molecular FormulaC18H12F2N2O5
Molecular Weight374.30 g/mol
Exact Mass374.07
IUPAC Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)c3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C18H12F2N2O5/c1-27-12-5-3-11(4-6-12)22-17(25)16(24)21(18(22)26)9-15(23)10-2-7-13(19)14(20)8-10/h2-8H,9H2,1H3
InChIKeyQCHGWHAGWPGRQU-UHFFFAOYSA-N
XLogP2.15
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 7837485
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888566
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888662
N-(3-chloro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7491692
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 39964401
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 60624816
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888420
1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888512
1-[2-(4-fluorophenoxy)ethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7491794
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione (CID 8597488) is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione is COc1ccc(N2C(=O)C(=O)N(CC(=O)c3ccc(F)c(F)c3)C2=O)cc1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is QCHGWHAGWPGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O5/c1-27-12-5-3-11(4-6-12)22-17(25)16(24)21(18(22)26)9-15(23)10-2-7-13(19)14(20)8-10/h2-8H,9H2,1H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione?
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 374.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 8597488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).