(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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride

C83H66ClF5N14O16 — CID 162219266

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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride

(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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride (PubChem CID 162219266) has the molecular formula C83H66ClF5N14O16 and a molecular weight of 1645.97 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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride.

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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride
• PubChem CID: 162219266
• Molecular Formula: C83H66ClF5N14O16
• Molecular Weight: 1645.97 g/mol
• Exact Mass: 1644.44
• 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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(F)cc3F)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#Cc3cccc(F)c3F)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnn(C)c3)NC(=O)NC1=O)C2.F
• InChI: InChI=1S/C22H18ClN3O4.2C21H15F2N3O4.C19H17N5O4.FH/c1-13-14(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;1-30-15-5-3-13-10-26(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;1-30-14-6-5-13-10-26(18(27)15(13)9-14)11-21(19(28)24-20(29)25-21)8-7-12-3-2-4-16(22)17(12)23;1-23-9-12(8-20-23)5-6-19(17(26)21-18(27)22-19)11-24-10-13-3-4-14(28-2)7-15(13)16(24)25;/h3-7,10H,11-12H2,1-2H3,(H2,24,25,28,29);2-5,8-9H,10-11H2,1H3,(H2,24,25,28,29);2-6,9H,10-11H2,1H3,(H2,24,25,28,29);3-4,7-9H,10-11H2,1-2H3,(H2,21,22,26,27);1H/t22-;2*21-;19-;/m1111./s1
• InChIKey: ZTXAANDQVDLHLC-XEOFDCNKSA-N
• XLogP: 5.53
• TPSA: 368.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1645.97
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride?

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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride (CID 162219266) 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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride.

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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride?

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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(F)cc3F)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#Cc3cccc(F)c3F)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnn(C)c3)NC(=O)NC1=O)C2.F.

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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride?

The InChIKey is ZTXAANDQVDLHLC-XEOFDCNKSA-N. The full InChI is InChI=1S/C22H18ClN3O4.2C21H15F2N3O4.C19H17N5O4.FH/c1-13-14(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;1-30-15-5-3-13-10-26(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;1-30-14-6-5-13-10-26(18(27)15(13)9-14)11-21(19(28)24-20(29)25-21)8-7-12-3-2-4-16(22)17(12)23;1-23-9-12(8-20-23)5-6-19(17(26)21-18(27)22-19)11-24-10-13-3-4-14(28-2)7-15(13)16(24)25;/h3-7,10H,11-12H2,1-2H3,(H2,24,25,28,29);2-5,8-9H,10-11H2,1H3,(H2,24,25,28,29);2-6,9H,10-11H2,1H3,(H2,24,25,28,29);3-4,7-9H,10-11H2,1-2H3,(H2,21,22,26,27);1H/t22-;2*21-;19-;/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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride?

(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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride has a molecular weight of 1645.97 g/mol, XLogP of 5.53, 12 rotatable bonds, 8 hydrogen bond donors, and 18 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-(2,3-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,4-difluorophenyl)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-(1-methylpyrazol-4-yl)ethynyl]imidazolidine-2,4-dione;hydrofluoride is sourced from PubChem (CID 162219266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).