(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C20H14FN3O5 — CID 143510855

IUPAC(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3ccc(F)cc3o2)N1
InChIInChI=1S/C20H14FN3O5/c21-12-3-1-10-5-16(29-15(10)6-12)20(18(27)22-19(28)23-20)9-24-8-11-2-4-13(25)7-14(11)17(24)26/h1-7,25H,8-9H2,(H2,22,23,27,28)/t20-/m0/s1
InChIKeyUWOHVQFRRZOYNP-FQEVSTJZSA-N
MW395.35 g/mol
LogP1.97
Rot. Bonds3

About (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 143510855) has the molecular formula C20H14FN3O5 and a molecular weight of 395.35 g/mol. Its IUPAC name is (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID143510855
Molecular FormulaC20H14FN3O5
Molecular Weight395.35 g/mol
Exact Mass395.09
IUPAC Name(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3ccc(F)cc3o2)N1
InChIInChI=1S/C20H14FN3O5/c21-12-3-1-10-5-16(29-15(10)6-12)20(18(27)22-19(28)23-20)9-24-8-11-2-4-13(25)7-14(11)17(24)26/h1-7,25H,8-9H2,(H2,22,23,27,28)/t20-/m0/s1
InChIKeyUWOHVQFRRZOYNP-FQEVSTJZSA-N
XLogP1.97
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione
CID 70235520
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione
CID 70232228
(5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 70235514
(5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 24889016
5-[6-(2-fluorophenyl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75166597
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
CID 11604430
5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75171635
5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
CID 76679922
5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
CID 11510993
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-[(methylideneamino)methyl]furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
CID 91344128
2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N,N-dipropyl-1-benzofuran-5-carboximidamide
CID 70232439

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 143510855) is (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3ccc(F)cc3o2)N1.
What is the InChIKey of (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UWOHVQFRRZOYNP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H14FN3O5/c21-12-3-1-10-5-16(29-15(10)6-12)20(18(27)22-19(28)23-20)9-24-8-11-2-4-13(25)7-14(11)17(24)26/h1-7,25H,8-9H2,(H2,22,23,27,28)/t20-/m0/s1.
What are the key properties of (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 395.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143510855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).