5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione

C21H26FN3O4 — CID 139004489

IUPAC5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOC3(CCCCC3)C2)C1=O
InChIInChI=1S/C21H26FN3O4/c1-20(15-5-7-16(22)8-6-15)18(27)25(19(28)23-20)13-17(26)24-11-12-29-21(14-24)9-3-2-4-10-21/h5-8H,2-4,9-14H2,1H3,(H,23,28)
InChIKeyZXDXARMQCJHMSH-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.15
Rot. Bonds3

About 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 139004489) has the molecular formula C21H26FN3O4 and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID139004489
Molecular FormulaC21H26FN3O4
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOC3(CCCCC3)C2)C1=O
InChIInChI=1S/C21H26FN3O4/c1-20(15-5-7-16(22)8-6-15)18(27)25(19(28)23-20)13-17(26)24-11-12-29-21(14-24)9-3-2-4-10-21/h5-8H,2-4,9-14H2,1H3,(H,23,28)
InChIKeyZXDXARMQCJHMSH-UHFFFAOYSA-N
XLogP2.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
9-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 154864364
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 55510543
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119381699
tert-butyl 4-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46419163
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46523676
5-(4-fluorophenyl)-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119398834
(5R)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802517
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 139004489) is 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOC3(CCCCC3)C2)C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is ZXDXARMQCJHMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4/c1-20(15-5-7-16(22)8-6-15)18(27)25(19(28)23-20)13-17(26)24-11-12-29-21(14-24)9-3-2-4-10-21/h5-8H,2-4,9-14H2,1H3,(H,23,28).
What are the key properties of 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 403.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 139004489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).