5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione

C114H89F5N16O21 — CID 158658971

About 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione (PubChem CID 158658971) has the molecular formula C114H89F5N16O21 and a molecular weight of 2114.05 g/mol. Its IUPAC name is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione
• PubChem CID: 158658971
• Molecular Formula: C114H89F5N16O21
• Molecular Weight: 2114.05 g/mol
• Exact Mass: 2112.63
• IUPAC Name: 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione
• SMILES: Cc1ncoc1COc1ccccc1C1(CN2Cc3ccc(F)cc3C2=O)NC(=O)NC1=O.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2cccc(Oc3ccccc3)c2)N1.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2O)N1.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2OCc2ccccc2)N1.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2Oc2ccccc2)N1
• InChI: InChI=1S/C25H20FN3O4.2C24H18FN3O4.C23H19FN4O5.C18H14FN3O4/c26-18-11-10-17-13-29(22(30)19(17)12-18)15-25(23(31)27-24(32)28-25)20-8-4-5-9-21(20)33-14-16-6-2-1-3-7-16;25-17-10-9-15-13-28(21(29)20(15)12-17)14-24(22(30)26-23(31)27-24)16-5-4-8-19(11-16)32-18-6-2-1-3-7-18;25-16-11-10-15-13-28(21(29)18(15)12-16)14-24(22(30)26-23(31)27-24)19-8-4-5-9-20(19)32-17-6-2-1-3-7-17;1-13-19(33-12-25-13)10-32-18-5-3-2-4-17(18)23(21(30)26-22(31)27-23)11-28-9-14-6-7-15(24)8-16(14)20(28)29;19-11-6-5-10-8-22(15(24)12(10)7-11)9-18(16(25)20-17(26)21-18)13-3-1-2-4-14(13)23/h1-12H,13-15H2,(H2,27,28,31,32);2*1-12H,13-14H2,(H2,26,27,30,31);2-8,12H,9-11H2,1H3,(H2,26,27,30,31);1-7,23H,8-9H2,(H2,20,21,25,26)
• InChIKey: ICMWXGBTSUCTHP-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 475.73 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.05
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione (CID 158658971) is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione is Cc1ncoc1COc1ccccc1C1(CN2Cc3ccc(F)cc3C2=O)NC(=O)NC1=O.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2cccc(Oc3ccccc3)c2)N1.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2O)N1.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2OCc2ccccc2)N1.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2Oc2ccccc2)N1.

What is the InChIKey of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione?

The InChIKey is ICMWXGBTSUCTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4.2C24H18FN3O4.C23H19FN4O5.C18H14FN3O4/c26-18-11-10-17-13-29(22(30)19(17)12-18)15-25(23(31)27-24(32)28-25)20-8-4-5-9-21(20)33-14-16-6-2-1-3-7-16;25-17-10-9-15-13-28(21(29)20(15)12-17)14-24(22(30)26-23(31)27-24)16-5-4-8-19(11-16)32-18-6-2-1-3-7-18;25-16-11-10-15-13-28(21(29)18(15)12-16)14-24(22(30)26-23(31)27-24)19-8-4-5-9-20(19)32-17-6-2-1-3-7-17;1-13-19(33-12-25-13)10-32-18-5-3-2-4-17(18)23(21(30)26-22(31)27-23)11-28-9-14-6-7-15(24)8-16(14)20(28)29;19-11-6-5-10-8-22(15(24)12(10)7-11)9-18(16(25)20-17(26)21-18)13-3-1-2-4-14(13)23/h1-12H,13-15H2,(H2,27,28,31,32);2*1-12H,13-14H2,(H2,26,27,30,31);2-8,12H,9-11H2,1H3,(H2,26,27,30,31);1-7,23H,8-9H2,(H2,20,21,25,26).

What are the key properties of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione?

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 2114.05 g/mol, XLogP of 13.33, 25 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenoxyphenyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-phenylmethoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158658971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).