(5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione

C90H69ClF5N13O16 — CID 160669703

About (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione

(5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione (PubChem CID 160669703) has the molecular formula C90H69ClF5N13O16 and a molecular weight of 1719.06 g/mol. Its IUPAC name is (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione
• PubChem CID: 160669703
• Molecular Formula: C90H69ClF5N13O16
• Molecular Weight: 1719.06 g/mol
• Exact Mass: 1717.46
• IUPAC Name: (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)cc(F)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(F)cc(C(F)(F)F)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(Cl)c3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc4ncccc34)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H18N4O4.C22H18ClN3O4.C22H15F4N3O4.C22H18FN3O4/c1-32-17-8-7-16-13-28(21(29)19(16)12-17)14-24(22(30)26-23(31)27-24)10-9-15-4-2-6-20-18(15)5-3-11-25-20;1-13-14(4-3-5-18(13)23)8-9-22(20(28)24-21(29)25-22)12-26-11-15-6-7-16(30-2)10-17(15)19(26)27;1-33-16-3-2-13-10-29(18(30)17(13)9-16)11-21(19(31)27-20(32)28-21)5-4-12-6-14(22(24,25)26)8-15(23)7-12;1-13-7-14(9-16(23)8-13)5-6-22(20(28)24-21(29)25-22)12-26-11-15-3-4-17(30-2)10-18(15)19(26)27/h2-8,11-12H,13-14H2,1H3,(H2,26,27,30,31);3-7,10H,11-12H2,1-2H3,(H2,24,25,28,29);2-3,6-9H,10-11H2,1H3,(H2,27,28,31,32);3-4,7-10H,11-12H2,1-2H3,(H2,24,25,28,29)/t24-;22-;21-;22-/m1111/s1
• InChIKey: RMTOLZOHYLEYTK-UYMRZURVSA-N
• XLogP: 8.24
• TPSA: 363.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1719.06
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione (CID 160669703) is (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)cc(F)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(F)cc(C(F)(F)F)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(Cl)c3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc4ncccc34)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione?

The InChIKey is RMTOLZOHYLEYTK-UYMRZURVSA-N. The full InChI is InChI=1S/C24H18N4O4.C22H18ClN3O4.C22H15F4N3O4.C22H18FN3O4/c1-32-17-8-7-16-13-28(21(29)19(16)12-17)14-24(22(30)26-23(31)27-24)10-9-15-4-2-6-20-18(15)5-3-11-25-20;1-13-14(4-3-5-18(13)23)8-9-22(20(28)24-21(29)25-22)12-26-11-15-6-7-16(30-2)10-17(15)19(26)27;1-33-16-3-2-13-10-29(18(30)17(13)9-16)11-21(19(31)27-20(32)28-21)5-4-12-6-14(22(24,25)26)8-15(23)7-12;1-13-7-14(9-16(23)8-13)5-6-22(20(28)24-21(29)25-22)12-26-11-15-3-4-17(30-2)10-18(15)19(26)27/h2-8,11-12H,13-14H2,1H3,(H2,26,27,30,31);3-7,10H,11-12H2,1-2H3,(H2,24,25,28,29);2-3,6-9H,10-11H2,1H3,(H2,27,28,31,32);3-4,7-10H,11-12H2,1-2H3,(H2,24,25,28,29)/t24-;22-;21-;22-/m1111/s1.

What are the key properties of (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione?

(5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione has a molecular weight of 1719.06 g/mol, XLogP of 8.24, 12 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(3-chloro-2-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-quinolin-5-ylethynyl)imidazolidine-2,4-dione is sourced from PubChem (CID 160669703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).