(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione

C110H90N16O16S — CID 158035874

About (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione (PubChem CID 158035874) has the molecular formula C110H90N16O16S and a molecular weight of 1924.09 g/mol. Its IUPAC name is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 158035874
• Molecular Formula: C110H90N16O16S
• Molecular Weight: 1924.09 g/mol
• Exact Mass: 1922.64
• IUPAC Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione
• SMILES: CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5nc(C)ccc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc5ccccc45)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)c5nc[nH]c5c4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C29H24N4O4.C29H23N3O4.C27H23N5O4.C25H20N4O4S/c1-17-3-4-20-13-19(8-12-25(20)30-17)18-5-9-22(10-6-18)29(27(35)31-28(36)32-29)16-33-15-21-7-11-23(37-2)14-24(21)26(33)34;1-36-22-14-11-20-16-32(26(33)25(20)15-22)17-29(27(34)30-28(35)31-29)21-12-9-19(10-13-21)24-8-4-6-18-5-2-3-7-23(18)24;1-15-9-18(10-22-23(15)29-14-28-22)16-3-6-19(7-4-16)27(25(34)30-26(35)31-27)13-32-12-17-5-8-20(36-2)11-21(17)24(32)33;1-2-3-12-33-17-8-7-16-14-29(22(30)18(16)13-17)15-25(23(31)27-24(32)28-25)21-10-9-20(34-21)19-6-4-5-11-26-19/h3-14H,15-16H2,1-2H3,(H2,31,32,35,36);2-15H,16-17H2,1H3,(H2,30,31,34,35);3-11,14H,12-13H2,1-2H3,(H,28,29)(H2,30,31,34,35);4-11,13H,12,14-15H2,1H3,(H2,27,28,31,32)/t2*29-;27-;25-/m0010/s1
• InChIKey: FHSUFLRPHLVMLW-BPRBVMFVSA-N
• XLogP: 14.26
• TPSA: 405.42 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.09
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

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-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione (CID 158035874) is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione is CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5nc(C)ccc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc5ccccc45)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)c5nc[nH]c5c4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione?

The InChIKey is FHSUFLRPHLVMLW-BPRBVMFVSA-N. The full InChI is InChI=1S/C29H24N4O4.C29H23N3O4.C27H23N5O4.C25H20N4O4S/c1-17-3-4-20-13-19(8-12-25(20)30-17)18-5-9-22(10-6-18)29(27(35)31-28(36)32-29)16-33-15-21-7-11-23(37-2)14-24(21)26(33)34;1-36-22-14-11-20-16-32(26(33)25(20)15-22)17-29(27(34)30-28(35)31-29)21-12-9-19(10-13-21)24-8-4-6-18-5-2-3-7-23(18)24;1-15-9-18(10-22-23(15)29-14-28-22)16-3-6-19(7-4-16)27(25(34)30-26(35)31-27)13-32-12-17-5-8-20(36-2)11-21(17)24(32)33;1-2-3-12-33-17-8-7-16-14-29(22(30)18(16)13-17)15-25(23(31)27-24(32)28-25)21-10-9-20(34-21)19-6-4-5-11-26-19/h3-14H,15-16H2,1-2H3,(H2,31,32,35,36);2-15H,16-17H2,1H3,(H2,30,31,34,35);3-11,14H,12-13H2,1-2H3,(H,28,29)(H2,30,31,34,35);4-11,13H,12,14-15H2,1H3,(H2,27,28,31,32)/t2*29-;27-;25-/m0010/s1.

What are the key properties of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione?

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 1924.09 g/mol, XLogP of 14.26, 21 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-naphthalen-1-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158035874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).