(5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione

C109H89F4N19O22S — CID 158220929

About (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione (PubChem CID 158220929) has the molecular formula C109H89F4N19O22S and a molecular weight of 2125.08 g/mol. Its IUPAC name is (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 158220929
• Molecular Formula: C109H89F4N19O22S
• Molecular Weight: 2125.08 g/mol
• Exact Mass: 2123.61
• IUPAC Name: (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)NC4CC4)o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4ncsc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(C)[nH]3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccccc3C(C)C)NC(=O)NC1=O)C2.O=C1NC(=O)[C@@](C#Cc2ccc(F)cc2F)(CN2Cc3ccc(OC(F)F)cc3C2=O)N1
• InChI: InChI=1S/C24H23N3O4.C23H20N4O6.C22H16N4O4S.C21H13F4N3O4.C19H17N5O4/c1-15(2)19-7-5-4-6-16(19)10-11-24(22(29)25-23(30)26-24)14-27-13-17-8-9-18(31-3)12-20(17)21(27)28;1-32-16-5-2-13-11-27(20(29)17(13)10-16)12-23(21(30)25-22(31)26-23)9-8-15-6-7-18(33-15)19(28)24-14-3-4-14;1-30-15-4-3-14-10-26(19(27)16(14)9-15)11-22(20(28)24-21(29)25-22)7-6-13-2-5-17-18(8-13)31-12-23-17;22-13-3-1-11(16(23)7-13)5-6-21(18(30)26-20(31)27-21)10-28-9-12-2-4-14(32-19(24)25)8-15(12)17(28)29;1-11-20-8-13(21-11)5-6-19(17(26)22-18(27)23-19)10-24-9-12-3-4-14(28-2)7-15(12)16(24)25/h4-9,12,15H,13-14H2,1-3H3,(H2,25,26,29,30);2,5-7,10,14H,3-4,11-12H2,1H3,(H,24,28)(H2,25,26,30,31);2-5,8-9,12H,10-11H2,1H3,(H2,24,25,28,29);1-4,7-8,19H,9-10H2,(H2,26,27,30,31);3-4,7-8H,9-10H2,1-2H3,(H,20,21)(H2,22,23,26,27)/t24-;23-;22-;21-;19-/m01111/s1
• InChIKey: GDFRLDRBZUDPRV-XPAXECSSSA-N
• XLogP: 7.53
• TPSA: 522.51 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.08
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

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-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione (CID 158220929) is (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)NC4CC4)o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4ncsc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(C)[nH]3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccccc3C(C)C)NC(=O)NC1=O)C2.O=C1NC(=O)[C@@](C#Cc2ccc(F)cc2F)(CN2Cc3ccc(OC(F)F)cc3C2=O)N1.

What is the InChIKey of (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is GDFRLDRBZUDPRV-XPAXECSSSA-N. The full InChI is InChI=1S/C24H23N3O4.C23H20N4O6.C22H16N4O4S.C21H13F4N3O4.C19H17N5O4/c1-15(2)19-7-5-4-6-16(19)10-11-24(22(29)25-23(30)26-24)14-27-13-17-8-9-18(31-3)12-20(17)21(27)28;1-32-16-5-2-13-11-27(20(29)17(13)10-16)12-23(21(30)25-22(31)26-23)9-8-15-6-7-18(33-15)19(28)24-14-3-4-14;1-30-15-4-3-14-10-26(19(27)16(14)9-15)11-22(20(28)24-21(29)25-22)7-6-13-2-5-17-18(8-13)31-12-23-17;22-13-3-1-11(16(23)7-13)5-6-21(18(30)26-20(31)27-21)10-28-9-12-2-4-14(32-19(24)25)8-15(12)17(28)29;1-11-20-8-13(21-11)5-6-19(17(26)22-18(27)23-19)10-24-9-12-3-4-14(28-2)7-15(12)16(24)25/h4-9,12,15H,13-14H2,1-3H3,(H2,25,26,29,30);2,5-7,10,14H,3-4,11-12H2,1H3,(H,24,28)(H2,25,26,30,31);2-5,8-9,12H,10-11H2,1H3,(H2,24,25,28,29);1-4,7-8,19H,9-10H2,(H2,26,27,30,31);3-4,7-8H,9-10H2,1-2H3,(H,20,21)(H2,22,23,26,27)/t24-;23-;22-;21-;19-/m01111/s1.

What are the key properties of (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 2125.08 g/mol, XLogP of 7.53, 19 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158220929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).