5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione

C108H92ClN19O23S2 — CID 172953683

About 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione

5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione (PubChem CID 172953683) has the molecular formula C108H92ClN19O23S2 and a molecular weight of 2123.62 g/mol. Its IUPAC name is 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione
• PubChem CID: 172953683
• Molecular Formula: C108H92ClN19O23S2
• Molecular Weight: 2123.62 g/mol
• Exact Mass: 2121.57
• IUPAC Name: 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione
• SMILES: CO/N=C/c1cccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)c1.CON=Cc1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1.CON=Cc1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)s1.COc1ccc2c(c1)CCN(CC1(C#Cc3ccc(Cl)s3)NC(=O)NC1=O)C2=O.COc1ccc2c(c1)CCN(CC1(C#Cc3cccnc3)NC(=O)NC1=O)C2=O
• InChI: InChI=1S/2C23H20N4O5.C21H18N4O5S.C21H18N4O4.C20H16ClN3O4S/c1-31-18-8-7-17-13-27(20(28)19(17)11-18)14-23(21(29)25-22(30)26-23)10-9-15-3-5-16(6-4-15)12-24-32-2;1-31-18-7-6-17-13-27(20(28)19(17)11-18)14-23(21(29)25-22(30)26-23)9-8-15-4-3-5-16(10-15)12-24-32-2;1-29-14-4-3-13-11-25(18(26)17(13)9-14)12-21(19(27)23-20(28)24-21)8-7-15-5-6-16(31-15)10-22-30-2;1-29-16-4-5-17-15(11-16)7-10-25(18(17)26)13-21(19(27)23-20(28)24-21)8-6-14-3-2-9-22-12-14;1-28-13-2-4-15-12(10-13)7-9-24(17(15)25)11-20(18(26)22-19(27)23-20)8-6-14-3-5-16(21)29-14/h3-8,11-12H,13-14H2,1-2H3,(H2,25,26,29,30);3-7,10-12H,13-14H2,1-2H3,(H2,25,26,29,30);3-6,9-10H,11-12H2,1-2H3,(H2,23,24,27,28);2-5,9,11-12H,7,10,13H2,1H3,(H2,23,24,27,28);2-5,10H,7,9,11H2,1H3,(H2,22,23,26,27)/b;24-12+;;;/t2*23-;21-;;/m111../s1
• InChIKey: FVNPRPKALNWHQP-SPZMGXCNSA-N
• XLogP: 6.60
• TPSA: 516.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.62
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione (CID 172953683) is 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione is CO/N=C/c1cccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)c1.CON=Cc1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1.CON=Cc1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)s1.COc1ccc2c(c1)CCN(CC1(C#Cc3ccc(Cl)s3)NC(=O)NC1=O)C2=O.COc1ccc2c(c1)CCN(CC1(C#Cc3cccnc3)NC(=O)NC1=O)C2=O.

What is the InChIKey of 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione?

The InChIKey is FVNPRPKALNWHQP-SPZMGXCNSA-N. The full InChI is InChI=1S/2C23H20N4O5.C21H18N4O5S.C21H18N4O4.C20H16ClN3O4S/c1-31-18-8-7-17-13-27(20(28)19(17)11-18)14-23(21(29)25-22(30)26-23)10-9-15-3-5-16(6-4-15)12-24-32-2;1-31-18-7-6-17-13-27(20(28)19(17)11-18)14-23(21(29)25-22(30)26-23)9-8-15-4-3-5-16(10-15)12-24-32-2;1-29-14-4-3-13-11-25(18(26)17(13)9-14)12-21(19(27)23-20(28)24-21)8-7-15-5-6-16(31-15)10-22-30-2;1-29-16-4-5-17-15(11-16)7-10-25(18(17)26)13-21(19(27)23-20(28)24-21)8-6-14-3-2-9-22-12-14;1-28-13-2-4-15-12(10-13)7-9-24(17(15)25)11-20(18(26)22-19(27)23-20)8-6-14-3-5-16(21)29-14/h3-8,11-12H,13-14H2,1-2H3,(H2,25,26,29,30);3-7,10-12H,13-14H2,1-2H3,(H2,25,26,29,30);3-6,9-10H,11-12H2,1-2H3,(H2,23,24,27,28);2-5,9,11-12H,7,10,13H2,1H3,(H2,23,24,27,28);2-5,10H,7,9,11H2,1H3,(H2,22,23,26,27)/b;24-12+;;;/t2*23-;21-;;/m111../s1.

What are the key properties of 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione?

5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione has a molecular weight of 2123.62 g/mol, XLogP of 6.60, 21 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-chlorothiophen-2-yl)ethynyl]-5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[3-[(E)-methoxyiminomethyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(methoxyiminomethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-(methoxyiminomethyl)thiophen-2-yl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione is sourced from PubChem (CID 172953683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).