(5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione

C84H66ClF2N15O18S3 — CID 159811711

About (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 159811711) has the molecular formula C84H66ClF2N15O18S3 and a molecular weight of 1743.19 g/mol. Its IUPAC name is (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 159811711
• Molecular Formula: C84H66ClF2N15O18S3
• Molecular Weight: 1743.19 g/mol
• Exact Mass: 1741.35
• IUPAC Name: (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(F)ccc3F)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(S(N)(=O)=O)s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3sc4ccc(Cl)cc4c3C)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H18ClN3O4S.C21H15F2N3O4.C20H17N5O4.C19H16N4O6S2/c1-13-17-9-15(25)4-6-20(17)33-19(13)7-8-24(22(30)26-23(31)27-24)12-28-11-14-3-5-16(32-2)10-18(14)21(28)29;1-30-15-4-2-13-10-26(18(27)16(13)9-15)11-21(19(28)24-20(29)25-21)7-6-12-8-14(22)3-5-17(12)23;1-12-3-5-14(24-23-12)7-8-20(18(27)21-19(28)22-20)11-25-10-13-4-6-15(29-2)9-16(13)17(25)26;1-29-12-3-2-11-9-23(16(24)14(11)8-12)10-19(17(25)21-18(26)22-19)7-6-13-4-5-15(30-13)31(20,27)28/h3-6,9-10H,11-12H2,1-2H3,(H2,26,27,30,31);2-5,8-9H,10-11H2,1H3,(H2,24,25,28,29);3-6,9H,10-11H2,1-2H3,(H2,21,22,27,28);2-5,8H,9-10H2,1H3,(H2,20,27,28)(H2,21,22,25,26)/t24-;21-;20-;19-/m1111/s1
• InChIKey: NLCLUNNTVWFULW-XJBDLXMZSA-N
• XLogP: 5.39
• TPSA: 436.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1743.19
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

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-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione (CID 159811711) is (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(F)ccc3F)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)nn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(S(N)(=O)=O)s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3sc4ccc(Cl)cc4c3C)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is NLCLUNNTVWFULW-XJBDLXMZSA-N. The full InChI is InChI=1S/C24H18ClN3O4S.C21H15F2N3O4.C20H17N5O4.C19H16N4O6S2/c1-13-17-9-15(25)4-6-20(17)33-19(13)7-8-24(22(30)26-23(31)27-24)12-28-11-14-3-5-16(32-2)10-18(14)21(28)29;1-30-15-4-2-13-10-26(18(27)16(13)9-15)11-21(19(28)24-20(29)25-21)7-6-12-8-14(22)3-5-17(12)23;1-12-3-5-14(24-23-12)7-8-20(18(27)21-19(28)22-20)11-25-10-13-4-6-15(29-2)9-16(13)17(25)26;1-29-12-3-2-11-9-23(16(24)14(11)8-12)10-19(17(25)21-18(26)22-19)7-6-13-4-5-15(30-13)31(20,27)28/h3-6,9-10H,11-12H2,1-2H3,(H2,26,27,30,31);2-5,8-9H,10-11H2,1H3,(H2,24,25,28,29);3-6,9H,10-11H2,1-2H3,(H2,21,22,27,28);2-5,8H,9-10H2,1H3,(H2,20,27,28)(H2,21,22,25,26)/t24-;21-;20-;19-/m1111/s1.

What are the key properties of (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1743.19 g/mol, XLogP of 5.39, 13 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,5-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-sulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridazin-3-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159811711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).