(5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione

C109H80F4N18O14S — CID 157175821

About (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 157175821) has the molecular formula C109H80F4N18O14S and a molecular weight of 1974.01 g/mol. Its IUPAC name is (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 157175821
• Molecular Formula: C109H80F4N18O14S
• Molecular Weight: 1974.01 g/mol
• Exact Mass: 1972.58
• IUPAC Name: (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
• SMILES: Cc1[nH]nc2ccc(-c3ccc([C@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)cc12.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3c[nH]c4ccccc34)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc4c(ccn4S(=O)(=O)c4ccccc4)c3)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc4cn[nH]c4c3)cc2)N1
• InChI: InChI=1S/C32H23FN4O5S.C26H20FN5O3.C26H19FN4O3.C25H18FN5O3/c33-25-12-8-23-18-36(29(38)27(23)17-25)19-32(30(39)34-31(40)35-32)24-10-6-20(7-11-24)21-9-13-28-22(16-21)14-15-37(28)43(41,42)26-4-2-1-3-5-26;1-14-20-10-16(5-9-22(20)31-30-14)15-2-6-18(7-3-15)26(24(34)28-25(35)29-26)13-32-12-17-4-8-19(27)11-21(17)23(32)33;27-18-10-7-16-13-31(23(32)20(16)11-18)14-26(24(33)29-25(34)30-26)17-8-5-15(6-9-17)21-12-28-22-4-2-1-3-19(21)22;26-19-8-5-17-12-31(22(32)20(17)10-19)13-25(23(33)28-24(34)29-25)18-6-3-14(4-7-18)15-1-2-16-11-27-30-21(16)9-15/h1-17H,18-19H2,(H2,34,35,39,40);2-11H,12-13H2,1H3,(H,30,31)(H2,28,29,34,35);1-12,28H,13-14H2,(H2,29,30,33,34);1-11H,12-13H2,(H,27,30)(H2,28,29,33,34)/t32-;2*26-;25-/m0000/s1
• InChIKey: ANZJFDZSVSPBJX-KDAAJLRNSA-N
• XLogP: 14.47
• TPSA: 426.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1974.01
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 157175821) is (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione is Cc1[nH]nc2ccc(-c3ccc([C@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)cc12.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3c[nH]c4ccccc34)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc4c(ccn4S(=O)(=O)c4ccccc4)c3)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc4cn[nH]c4c3)cc2)N1.

What is the InChIKey of (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is ANZJFDZSVSPBJX-KDAAJLRNSA-N. The full InChI is InChI=1S/C32H23FN4O5S.C26H20FN5O3.C26H19FN4O3.C25H18FN5O3/c33-25-12-8-23-18-36(29(38)27(23)17-25)19-32(30(39)34-31(40)35-32)24-10-6-20(7-11-24)21-9-13-28-22(16-21)14-15-37(28)43(41,42)26-4-2-1-3-5-26;1-14-20-10-16(5-9-22(20)31-30-14)15-2-6-18(7-3-15)26(24(34)28-25(35)29-26)13-32-12-17-4-8-19(27)11-21(17)23(32)33;27-18-10-7-16-13-31(23(32)20(16)11-18)14-26(24(33)29-25(34)30-26)17-8-5-15(6-9-17)21-12-28-22-4-2-1-3-19(21)22;26-19-8-5-17-12-31(22(32)20(17)10-19)13-25(23(33)28-24(34)29-25)18-6-3-14(4-7-18)15-1-2-16-11-27-30-21(16)9-15/h1-17H,18-19H2,(H2,34,35,39,40);2-11H,12-13H2,1H3,(H,30,31)(H2,28,29,34,35);1-12,28H,13-14H2,(H2,29,30,33,34);1-11H,12-13H2,(H,27,30)(H2,28,29,33,34)/t32-;2*26-;25-/m0000/s1.

What are the key properties of (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 1974.01 g/mol, XLogP of 14.47, 18 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157175821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).