8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H19F3N4O3 — CID 118366506

IUPAC8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCn1c(-c2cccc(F)c2)cnc1C(=O)CN1C(=O)NC2(CCC(F)(F)CC2)C1=O
InChIInChI=1S/C20H19F3N4O3/c1-26-14(12-3-2-4-13(21)9-12)10-24-16(26)15(28)11-27-17(29)19(25-18(27)30)5-7-20(22,23)8-6-19/h2-4,9-10H,5-8,11H2,1H3,(H,25,30)
InChIKeyHKLXIXKFJYCCQY-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.91
Rot. Bonds4

About 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 118366506) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID118366506
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCn1c(-c2cccc(F)c2)cnc1C(=O)CN1C(=O)NC2(CCC(F)(F)CC2)C1=O
InChIInChI=1S/C20H19F3N4O3/c1-26-14(12-3-2-4-13(21)9-12)10-24-16(26)15(28)11-27-17(29)19(25-18(27)30)5-7-20(22,23)8-6-19/h2-4,9-10H,5-8,11H2,1H3,(H,25,30)
InChIKeyHKLXIXKFJYCCQY-UHFFFAOYSA-N
XLogP2.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118366350
8,8-difluoro-3-[2-[4-[3-(hydroxymethyl)-2-pyridinyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118366358
8,8-difluoro-3-[2-oxo-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118366425
N-[[3-[4-[2-(8,8-difluoro-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]-2-pyridinyl]methyl]acetamide
CID 118366455
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide
CID 55954998
5-(3-chlorophenyl)-1-methylimidazole-2-carboxylic acid
CID 84699681
6-[4-[2-(8,8-difluoro-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenoxy]pyridine-2-carbonitrile
CID 118366430
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide
CID 95179362
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 8675905

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 118366506) is 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cn1c(-c2cccc(F)c2)cnc1C(=O)CN1C(=O)NC2(CCC(F)(F)CC2)C1=O.
What is the InChIKey of 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HKLXIXKFJYCCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-26-14(12-3-2-4-13(21)9-12)10-24-16(26)15(28)11-27-17(29)19(25-18(27)30)5-7-20(22,23)8-6-19/h2-4,9-10H,5-8,11H2,1H3,(H,25,30).
What are the key properties of 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 420.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-[2-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118366506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).