(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C16H14F2N2O4 — CID 94385595

IUPAC(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O
InChIInChI=1S/C16H14F2N2O4/c1-16(13-3-2-6-24-13)14(22)20(15(23)19-16)8-12(21)10-7-9(17)4-5-11(10)18/h2-7,12,21H,8H2,1H3,(H,19,23)/t12-,16+/m1/s1
InChIKeyPCCAGLJFRSHIAO-WBMJQRKESA-N
MW336.29 g/mol
LogP2.06
Rot. Bonds4

About (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 94385595) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID94385595
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O
InChIInChI=1S/C16H14F2N2O4/c1-16(13-3-2-6-24-13)14(22)20(15(23)19-16)8-12(21)10-7-9(17)4-5-11(10)18/h2-7,12,21H,8H2,1H3,(H,19,23)/t12-,16+/m1/s1
InChIKeyPCCAGLJFRSHIAO-WBMJQRKESA-N
XLogP2.06
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385593
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47021034
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51249939
(5R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione
CID 94385462
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
N-(5-fluoro-2-methylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18098998
(5R)-3-[3-(4-fluorophenyl)prop-2-ynyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 124576191
N-(3-fluorophenyl)-2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27109548
(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 94180443
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 155531209
3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18097416

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 94385595) is (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O.
What is the InChIKey of (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PCCAGLJFRSHIAO-WBMJQRKESA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-16(13-3-2-6-24-13)14(22)20(15(23)19-16)8-12(21)10-7-9(17)4-5-11(10)18/h2-7,12,21H,8H2,1H3,(H,19,23)/t12-,16+/m1/s1.
What are the key properties of (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 336.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 94385595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).