(5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione

C16H12FN3O5 — CID 70232443

IUPAC(5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N([C@]1(c3ccco3)NC(=O)NC1=O)C2
InChIInChI=1S/C16H12FN3O5/c1-24-9-5-4-8-7-20(13(21)11(8)12(9)17)16(10-3-2-6-25-10)14(22)18-15(23)19-16/h2-6H,7H2,1H3,(H2,18,19,22,23)/t16-/m0/s1
InChIKeyRWQKCQVOLHBYRR-INIZCTEOSA-N
MW345.29 g/mol
LogP1.08
Rot. Bonds3

About (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione

(5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione (PubChem CID 70232443) has the molecular formula C16H12FN3O5 and a molecular weight of 345.29 g/mol. Its IUPAC name is (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione
PubChem CID70232443
Molecular FormulaC16H12FN3O5
Molecular Weight345.29 g/mol
Exact Mass345.08
IUPAC Name(5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N([C@]1(c3ccco3)NC(=O)NC1=O)C2
InChIInChI=1S/C16H12FN3O5/c1-24-9-5-4-8-7-20(13(21)11(8)12(9)17)16(10-3-2-6-25-10)14(22)18-15(23)19-16/h2-6H,7H2,1H3,(H2,18,19,22,23)/t16-/m0/s1
InChIKeyRWQKCQVOLHBYRR-INIZCTEOSA-N
XLogP1.08
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46845559
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 58053678
(5S)-5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58054076
(R)-5-(furan-2-yl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46881609
(R)-5-(4-(cyclopentyloxy)phenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 49864868
5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione
CID 58041822
5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione
CID 58042154
N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 3755609
N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 5023885
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4827626
(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 52844271
(5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 52844317

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione (CID 70232443) is (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N([C@]1(c3ccco3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione?
The InChIKey is RWQKCQVOLHBYRR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12FN3O5/c1-24-9-5-4-8-7-20(13(21)11(8)12(9)17)16(10-3-2-6-25-10)14(22)18-15(23)19-16/h2-6H,7H2,1H3,(H2,18,19,22,23)/t16-/m0/s1.
What are the key properties of (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione?
(5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione has a molecular weight of 345.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(furan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 70232443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).