5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C19H16FN3O4 — CID 90700643

IUPAC5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(CC3(c4ccc(F)cc4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C19H16FN3O4/c1-27-14-6-7-15-11(8-14)9-23(16(15)24)10-19(17(25)21-18(26)22-19)12-2-4-13(20)5-3-12/h2-9,24H,10H2,1H3,(H2,21,22,25,26)
InChIKeyLZXQQZACOFWOGB-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.23
Rot. Bonds4

About 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90700643) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90700643
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(CC3(c4ccc(F)cc4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C19H16FN3O4/c1-27-14-6-7-15-11(8-14)9-23(16(15)24)10-19(17(25)21-18(26)22-19)12-2-4-13(20)5-3-12/h2-9,24H,10H2,1H3,(H2,21,22,25,26)
InChIKeyLZXQQZACOFWOGB-UHFFFAOYSA-N
XLogP2.23
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.23
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

(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-fluoro-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
CID 58042046
(5R)-5-[2-[6-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 136200865
(5R)-5-[2-(5-fluoro-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 17754694
(5R)-5-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561275
(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561276
(5R)-5-[4-(3-fluoro-4-pyridinyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561280
(5R)-5-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 57561432
3-[[3-[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3-propylpyridin-2-yl]oxyphenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 59200904
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-[4-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 90687159
(5R)-5-[2-[3-(difluoromethoxy)phenyl]ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90687948
(5R)-5-[[6-(difluoromethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-[2-(3-fluoro-4-methoxyphenyl)ethynyl]imidazolidine-2,4-dione
CID 90700045
5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 90703608

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90700643) is 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(O)n(CC3(c4ccc(F)cc4)NC(=O)NC3=O)cc2c1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is LZXQQZACOFWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-27-14-6-7-15-11(8-14)9-23(16(15)24)10-19(17(25)21-18(26)22-19)12-2-4-13(20)5-3-12/h2-9,24H,10H2,1H3,(H2,21,22,25,26).
What are the key properties of 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 369.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90700643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).