(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione

C17H12F2N4O3 — CID 90697260

IUPAC(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cn2)N1
InChIInChI=1S/C17H12F2N4O3/c18-10-2-1-9-7-23(14(24)12(9)5-10)8-17(15(25)21-16(26)22-17)13-4-3-11(19)6-20-13/h1-7,24H,8H2,(H2,21,22,25,26)/t17-/m0/s1
InChIKeyUZQJZPLLMSMROL-KRWDZBQOSA-N
MW358.30 g/mol
LogP1.75
Rot. Bonds3

About (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione

(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione (PubChem CID 90697260) has the molecular formula C17H12F2N4O3 and a molecular weight of 358.30 g/mol. Its IUPAC name is (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
PubChem CID90697260
Molecular FormulaC17H12F2N4O3
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC Name(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cn2)N1
InChIInChI=1S/C17H12F2N4O3/c18-10-2-1-9-7-23(14(24)12(9)5-10)8-17(15(25)21-16(26)22-17)13-4-3-11(19)6-20-13/h1-7,24H,8H2,(H2,21,22,25,26)/t17-/m0/s1
InChIKeyUZQJZPLLMSMROL-KRWDZBQOSA-N
XLogP1.75
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.75
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

5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione
CID 71167416
(5R)-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90698350
3-[7-fluoro-3-hydroxy-2-[(4-pyrrol-1-ylphenyl)methyl]isoindol-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 90700125
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 90715981
5-[(6-Fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 90728782
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
CID 90730464
3-[7-fluoro-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-yl]-N-pyrazin-2-ylpropanamide
CID 90740439
(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
CID 90740839
5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90750580
(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90759376
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione (CID 90697260) is (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cn2)N1.
What is the InChIKey of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is UZQJZPLLMSMROL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H12F2N4O3/c18-10-2-1-9-7-23(14(24)12(9)5-10)8-17(15(25)21-16(26)22-17)13-4-3-11(19)6-20-13/h1-7,24H,8H2,(H2,21,22,25,26)/t17-/m0/s1.
What are the key properties of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione?
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 358.30 g/mol, XLogP of 1.75, 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-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 90697260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).