(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione

C15H18F2N2O3 — CID 94389748

IUPAC(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C15H18F2N2O3/c1-3-6-15(2)13(21)19(14(22)18-15)8-12(20)10-5-4-9(16)7-11(10)17/h4-5,7,12,20H,3,6,8H2,1-2H3,(H,18,22)/t12-,15+/m0/s1
InChIKeyNWBRLYGIOQBTBV-SWLSCSKDSA-N
MW312.32 g/mol
LogP2.11
Rot. Bonds5

About (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione

(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione (PubChem CID 94389748) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione
PubChem CID94389748
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C15H18F2N2O3/c1-3-6-15(2)13(21)19(14(22)18-15)8-12(20)10-5-4-9(16)7-11(10)17/h4-5,7,12,20H,3,6,8H2,1-2H3,(H,18,22)/t12-,15+/m0/s1
InChIKeyNWBRLYGIOQBTBV-SWLSCSKDSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 155531209
(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 124624577
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385394
3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 32519562
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385595
(5S)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385593
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazolidine-2,4-dione
CID 42938170
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8571771
(5S,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385222

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione (CID 94389748) is (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione is CCC[C@@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The InChIKey is NWBRLYGIOQBTBV-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-3-6-15(2)13(21)19(14(22)18-15)8-12(20)10-5-4-9(16)7-11(10)17/h4-5,7,12,20H,3,6,8H2,1-2H3,(H,18,22)/t12-,15+/m0/s1.
What are the key properties of (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione?
(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione has a molecular weight of 312.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 94389748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).