5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione

C98H83F5N20O18S2 — CID 158970829

About 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione

5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione (PubChem CID 158970829) has the molecular formula C98H83F5N20O18S2 and a molecular weight of 1987.99 g/mol. Its IUPAC name is 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione
• PubChem CID: 158970829
• Molecular Formula: C98H83F5N20O18S2
• Molecular Weight: 1987.99 g/mol
• Exact Mass: 1986.56
• IUPAC Name: 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione
• SMILES: CN(C)c1cc2c(cc1F)C(=O)N(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3cc4ccccc4s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4csc(N)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3nccn3C)NC(=O)NC1=O)C2.O=C1NC(=O)C(CN2Cc3cc(F)c(F)cc3C2=O)(c2ccc(F)cc2)N1
• InChI: InChI=1S/C22H19N5O4S.C21H17N3O4S.C20H18F2N4O3.C18H12F3N3O3.C17H17N5O4/c1-31-15-7-4-13-9-27(18(28)16(13)8-15)11-22(19(29)25-21(30)26-22)14-5-2-12(3-6-14)17-10-32-20(23)24-17;1-28-14-7-6-13-10-24(18(25)15(13)9-14)11-21(19(26)22-20(27)23-21)17-8-12-4-2-3-5-16(12)29-17;1-25(2)16-7-11-9-26(17(27)14(11)8-15(16)22)10-20(18(28)23-19(29)24-20)12-3-5-13(21)6-4-12;19-11-3-1-10(2-4-11)18(16(26)22-17(27)23-18)8-24-7-9-5-13(20)14(21)6-12(9)15(24)25;1-21-6-5-18-14(21)17(15(24)19-16(25)20-17)9-22-8-10-3-4-11(26-2)7-12(10)13(22)23/h2-8,10H,9,11H2,1H3,(H2,23,24)(H2,25,26,29,30);2-9H,10-11H2,1H3,(H2,22,23,26,27);3-8H,9-10H2,1-2H3,(H2,23,24,28,29);1-6H,7-8H2,(H2,22,23,26,27);3-7H,8-9H2,1-2H3,(H2,19,20,24,25)
• InChIKey: JNUIAZUDGFMBFP-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 480.21 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1987.99
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione?

The IUPAC name of 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione (CID 158970829) is 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione is CN(C)c1cc2c(cc1F)C(=O)N(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3cc4ccccc4s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4csc(N)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3nccn3C)NC(=O)NC1=O)C2.O=C1NC(=O)C(CN2Cc3cc(F)c(F)cc3C2=O)(c2ccc(F)cc2)N1.

What is the InChIKey of 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione?

The InChIKey is JNUIAZUDGFMBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4S.C21H17N3O4S.C20H18F2N4O3.C18H12F3N3O3.C17H17N5O4/c1-31-15-7-4-13-9-27(18(28)16(13)8-15)11-22(19(29)25-21(30)26-22)14-5-2-12(3-6-14)17-10-32-20(23)24-17;1-28-14-7-6-13-10-24(18(25)15(13)9-14)11-21(19(26)22-20(27)23-21)17-8-12-4-2-3-5-16(12)29-17;1-25(2)16-7-11-9-26(17(27)14(11)8-15(16)22)10-20(18(28)23-19(29)24-20)12-3-5-13(21)6-4-12;19-11-3-1-10(2-4-11)18(16(26)22-17(27)23-18)8-24-7-9-5-13(20)14(21)6-12(9)15(24)25;1-21-6-5-18-14(21)17(15(24)19-16(25)20-17)9-22-8-10-3-4-11(26-2)7-12(10)13(22)23/h2-8,10H,9,11H2,1H3,(H2,23,24)(H2,25,26,29,30);2-9H,10-11H2,1H3,(H2,22,23,26,27);3-8H,9-10H2,1-2H3,(H2,23,24,28,29);1-6H,7-8H2,(H2,22,23,26,27);3-7H,8-9H2,1-2H3,(H2,19,20,24,25).

What are the key properties of 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione?

5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 1987.99 g/mol, XLogP of 8.33, 20 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-(1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[[6-(dimethylamino)-5-fluoro-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 158970829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).