(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione

C104H88FN19O15 — CID 157235893

About (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 157235893) has the molecular formula C104H88FN19O15 and a molecular weight of 1862.96 g/mol. Its IUPAC name is (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 157235893
• Molecular Formula: C104H88FN19O15
• Molecular Weight: 1862.96 g/mol
• Exact Mass: 1861.67
• IUPAC Name: (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5c(cnn5C(C)C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccn4)cc3)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)N1
• InChI: InChI=1S/C30H29N5O4.C27H20FN5O3.C24H20N4O4.C23H19N5O4/c1-17(2)35-26-18(3)11-21(12-22(26)14-31-35)19-5-8-23(9-6-19)30(28(37)32-29(38)33-30)16-34-15-20-7-10-24(39-4)13-25(20)27(34)36;28-21-8-3-19-14-33(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;1-32-18-10-7-16-13-28(21(29)19(16)12-18)14-24(22(30)26-23(31)27-24)17-8-5-15(6-9-17)20-4-2-3-11-25-20;1-32-17-7-4-15-12-28(20(29)18(15)10-17)13-23(21(30)26-22(31)27-23)16-5-2-14(3-6-16)19-11-24-8-9-25-19/h5-14,17H,15-16H2,1-4H3,(H2,32,33,37,38);1-13,16H,14-15H2,(H2,30,31,35,36);2-12H,13-14H2,1H3,(H2,26,27,30,31);2-11H,12-13H2,1H3,(H2,26,27,30,31)/t30-;27-;24-;23-/m0000/s1
• InChIKey: AUPZZSCQJDEOEE-AHNHQGDGSA-N
• XLogP: 11.95
• TPSA: 416.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1862.96
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione (CID 157235893) is (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)c5c(cnn5C(C)C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccn4)cc3)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)N1.

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

The InChIKey is AUPZZSCQJDEOEE-AHNHQGDGSA-N. The full InChI is InChI=1S/C30H29N5O4.C27H20FN5O3.C24H20N4O4.C23H19N5O4/c1-17(2)35-26-18(3)11-21(12-22(26)14-31-35)19-5-8-23(9-6-19)30(28(37)32-29(38)33-30)16-34-15-20-7-10-24(39-4)13-25(20)27(34)36;28-21-8-3-19-14-33(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;1-32-18-10-7-16-13-28(21(29)19(16)12-18)14-24(22(30)26-23(31)27-24)17-8-5-15(6-9-17)20-4-2-3-11-25-20;1-32-17-7-4-15-12-28(20(29)18(15)10-17)13-23(21(30)26-22(31)27-23)16-5-2-14(3-6-16)19-11-24-8-9-25-19/h5-14,17H,15-16H2,1-4H3,(H2,32,33,37,38);1-13,16H,14-15H2,(H2,30,31,35,36);2-12H,13-14H2,1H3,(H2,26,27,30,31);2-11H,12-13H2,1H3,(H2,26,27,30,31)/t30-;27-;24-;23-/m0000/s1.

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

(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 1862.96 g/mol, XLogP of 11.95, 21 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-imidazol-1-ylphenyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 157235893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).