5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione

C106H81F3N18O15S2 — CID 158375972

About 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 158375972) has the molecular formula C106H81F3N18O15S2 and a molecular weight of 1968.05 g/mol. Its IUPAC name is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 158375972
• Molecular Formula: C106H81F3N18O15S2
• Molecular Weight: 1968.05 g/mol
• Exact Mass: 1966.55
• IUPAC Name: 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5[nH]ncc5c4)cc3)NC(=O)NC1=O)C2.O=C1CSc2c(cccc2-c2ccc([C@@]3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)N1.O=C1CSc2c(cccc2-c2ccc([C@]3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)N1.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)N1
• InChI: InChI=1S/C27H20FN5O3.C27H23N5O4.2C26H19FN4O4S/c28-21-8-3-19-14-33(24(34)23(19)13-21)15-27(25(35)30-26(36)31-27)20-6-1-17(2-7-20)18-4-9-22(10-5-18)32-12-11-29-16-32;1-15-9-18(10-19-12-28-31-23(15)19)16-3-6-20(7-4-16)27(25(34)29-26(35)30-27)14-32-13-17-5-8-21(36-2)11-22(17)24(32)33;2*27-17-9-6-15-11-31(23(33)19(15)10-17)13-26(24(34)29-25(35)30-26)16-7-4-14(5-8-16)18-2-1-3-20-22(18)36-12-21(32)28-20/h1-13,16H,14-15H2,(H2,30,31,35,36);3-12H,13-14H2,1-2H3,(H,28,31)(H2,29,30,34,35);2*1-10H,11-13H2,(H,28,32)(H2,29,30,34,35)/t;27-;2*26-/m.010/s1
• InChIKey: GVESNGBKVMRBAG-RBUKCGJUSA-N
• XLogP: 13.06
• TPSA: 427.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.05
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 158375972) is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5[nH]ncc5c4)cc3)NC(=O)NC1=O)C2.O=C1CSc2c(cccc2-c2ccc([C@@]3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)N1.O=C1CSc2c(cccc2-c2ccc([C@]3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)N1.O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)N1.

What is the InChIKey of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is GVESNGBKVMRBAG-RBUKCGJUSA-N. The full InChI is InChI=1S/C27H20FN5O3.C27H23N5O4.2C26H19FN4O4S/c28-21-8-3-19-14-33(24(34)23(19)13-21)15-27(25(35)30-26(36)31-27)20-6-1-17(2-7-20)18-4-9-22(10-5-18)32-12-11-29-16-32;1-15-9-18(10-19-12-28-31-23(15)19)16-3-6-20(7-4-16)27(25(34)29-26(35)30-27)14-32-13-17-5-8-21(36-2)11-22(17)24(32)33;2*27-17-9-6-15-11-31(23(33)19(15)10-17)13-26(24(34)29-25(35)30-26)16-7-4-14(5-8-16)18-2-1-3-20-22(18)36-12-21(32)28-20/h1-13,16H,14-15H2,(H2,30,31,35,36);3-12H,13-14H2,1-2H3,(H,28,31)(H2,29,30,34,35);2*1-10H,11-13H2,(H,28,32)(H2,29,30,34,35)/t;27-;2*26-/m.010/s1.

What are the key properties of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 1968.05 g/mol, XLogP of 13.06, 18 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158375972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).