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

C21H18FN3O4 — CID 90897514

IUPAC(5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(C=Cc4ccc(F)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C21H18FN3O4/c1-29-16-7-4-14-11-25(18(26)17(14)10-16)12-21(19(27)23-20(28)24-21)9-8-13-2-5-15(22)6-3-13/h2-11,26H,12H2,1H3,(H2,23,24,27,28)/t21-/m1/s1
InChIKeyOWLOSQJLBOJTGJ-OAQYLSRUSA-N
MW395.39 g/mol
LogP2.79
Rot. Bonds5

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

(5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90897514) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90897514
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name(5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(C=Cc4ccc(F)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C21H18FN3O4/c1-29-16-7-4-14-11-25(18(26)17(14)10-16)12-21(19(27)23-20(28)24-21)9-8-13-2-5-15(22)6-3-13/h2-11,26H,12H2,1H3,(H2,23,24,27,28)/t21-/m1/s1
InChIKeyOWLOSQJLBOJTGJ-OAQYLSRUSA-N
XLogP2.79
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90897514) is (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(C=Cc4ccc(F)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is OWLOSQJLBOJTGJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-29-16-7-4-14-11-25(18(26)17(14)10-16)12-21(19(27)23-20(28)24-21)9-8-13-2-5-15(22)6-3-13/h2-11,26H,12H2,1H3,(H2,23,24,27,28)/t21-/m1/s1.
What are the key properties of (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 395.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(4-fluorophenyl)ethenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90897514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).