(5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione

C116H96F7N21O20 — CID 160904127

About (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione

(5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione (PubChem CID 160904127) has the molecular formula C116H96F7N21O20 and a molecular weight of 2237.16 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 160904127
• Molecular Formula: C116H96F7N21O20
• Molecular Weight: 2237.16 g/mol
• Exact Mass: 2235.70
• IUPAC Name: (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(C)nn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cncnc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccn4C)cc3)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3ccc(OCC(F)(F)F)cc3C2=O)(c2ccc(F)cc2)N1
• InChI: InChI=1S/C26H20F3N3O4.C24H21N5O4.C23H21N5O4.C23H19N5O4.C20H15F4N3O4/c1-36-20-11-6-17-13-32(22(33)21(17)12-20)14-25(23(34)30-24(35)31-25)18-7-2-15(3-8-18)16-4-9-19(10-5-16)26(27,28)29;1-14-3-10-20(28-27-14)15-4-7-17(8-5-15)24(22(31)25-23(32)26-24)13-29-12-16-6-9-18(33-2)11-19(16)21(29)30;1-27-10-9-24-19(27)14-3-6-16(7-4-14)23(21(30)25-22(31)26-23)13-28-12-15-5-8-17(32-2)11-18(15)20(28)29;1-32-18-7-4-15-11-28(20(29)19(15)8-18)12-23(21(30)26-22(31)27-23)17-5-2-14(3-6-17)16-9-24-13-25-10-16;21-13-4-2-12(3-5-13)19(17(29)25-18(30)26-19)9-27-8-11-1-6-14(7-15(11)16(27)28)31-10-20(22,23)24/h2-12H,13-14H2,1H3,(H2,30,31,34,35);3-11H,12-13H2,1-2H3,(H2,25,26,31,32);3-11H,12-13H2,1-2H3,(H2,25,26,30,31);2-10,13H,11-12H2,1H3,(H2,26,27,30,31);1-7H,8-10H2,(H2,25,26,29,30)/t25-;24-;2*23-;19-/m00000/s1
• InChIKey: SPWYISCYOUXSPU-ZJEZTGDQSA-N
• XLogP: 12.31
• TPSA: 508.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2237.16
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione (CID 160904127) is (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(C)nn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cncnc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccn4C)cc3)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3ccc(OCC(F)(F)F)cc3C2=O)(c2ccc(F)cc2)N1.

What is the InChIKey of (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?

The InChIKey is SPWYISCYOUXSPU-ZJEZTGDQSA-N. The full InChI is InChI=1S/C26H20F3N3O4.C24H21N5O4.C23H21N5O4.C23H19N5O4.C20H15F4N3O4/c1-36-20-11-6-17-13-32(22(33)21(17)12-20)14-25(23(34)30-24(35)31-25)18-7-2-15(3-8-18)16-4-9-19(10-5-16)26(27,28)29;1-14-3-10-20(28-27-14)15-4-7-17(8-5-15)24(22(31)25-23(32)26-24)13-29-12-16-6-9-18(33-2)11-19(16)21(29)30;1-27-10-9-24-19(27)14-3-6-16(7-4-14)23(21(30)25-22(31)26-23)13-28-12-15-5-8-17(32-2)11-18(15)20(28)29;1-32-18-7-4-15-11-28(20(29)19(15)8-18)12-23(21(30)26-22(31)27-23)17-5-2-14(3-6-17)16-9-24-13-25-10-16;21-13-4-2-12(3-5-13)19(17(29)25-18(30)26-19)9-27-8-11-1-6-14(7-15(11)16(27)28)31-10-20(22,23)24/h2-12H,13-14H2,1H3,(H2,30,31,34,35);3-11H,12-13H2,1-2H3,(H2,25,26,31,32);3-11H,12-13H2,1-2H3,(H2,25,26,30,31);2-10,13H,11-12H2,1H3,(H2,26,27,30,31);1-7H,8-10H2,(H2,25,26,29,30)/t25-;24-;2*23-;19-/m00000/s1.

What are the key properties of (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?

(5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 2237.16 g/mol, XLogP of 12.31, 25 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160904127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).