(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C21H19F2N3O4 — CID 90721253

IUPAC(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(CCc4ccc(F)cc4F)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C21H19F2N3O4/c1-30-15-5-3-13-10-26(18(27)16(13)9-15)11-21(19(28)24-20(29)25-21)7-6-12-2-4-14(22)8-17(12)23/h2-5,8-10,27H,6-7,11H2,1H3,(H2,24,25,28,29)/t21-/m1/s1
InChIKeyCCJUAQINXJWHBF-OAQYLSRUSA-N
MW415.40 g/mol
LogP2.84
Rot. Bonds6

About (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90721253) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90721253
Molecular FormulaC21H19F2N3O4
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC Name(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(CCc4ccc(F)cc4F)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C21H19F2N3O4/c1-30-15-5-3-13-10-26(18(27)16(13)9-15)11-21(19(28)24-20(29)25-21)7-6-12-2-4-14(22)8-17(12)23/h2-5,8-10,27H,6-7,11H2,1H3,(H2,24,25,28,29)/t21-/m1/s1
InChIKeyCCJUAQINXJWHBF-OAQYLSRUSA-N
XLogP2.84
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.84
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
(5R)-5-[2-(5-fluoro-2-iodo-3-pyridinyl)ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 88570125
(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(1-pyridin-3-ylethenyl)imidazolidine-2,4-dione
CID 89197496
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90721253) is (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(CCc4ccc(F)cc4F)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is CCJUAQINXJWHBF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c1-30-15-5-3-13-10-26(18(27)16(13)9-15)11-21(19(28)24-20(29)25-21)7-6-12-2-4-14(22)8-17(12)23/h2-5,8-10,27H,6-7,11H2,1H3,(H2,24,25,28,29)/t21-/m1/s1.
What are the key properties of (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 415.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90721253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).