(5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione

C104H87F6N19O17 — CID 160868295

About (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 160868295) has the molecular formula C104H87F6N19O17 and a molecular weight of 1988.94 g/mol. Its IUPAC name is (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 160868295
• Molecular Formula: C104H87F6N19O17
• Molecular Weight: 1988.94 g/mol
• Exact Mass: 1987.64
• IUPAC Name: (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c(C)noc4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C(F)(F)F)cc5[nH]cnc45)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(-c5ccccc5)c4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cnn(C)c4C(F)(F)F)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C29H25N5O4.C27H20F3N5O4.C24H20F3N5O4.C24H22N4O5/c1-18-25(15-30-34(18)22-6-4-3-5-7-22)19-8-11-21(12-9-19)29(27(36)31-28(37)32-29)17-33-16-20-10-13-23(38-2)14-24(20)26(33)35;1-39-18-7-4-15-11-35(23(36)20(15)10-18)12-26(24(37)33-25(38)34-26)16-5-2-14(3-6-16)19-8-17(27(28,29)30)9-21-22(19)32-13-31-21;1-31-19(24(25,26)27)18(10-28-31)13-3-6-15(7-4-13)23(21(34)29-22(35)30-23)12-32-11-14-5-8-16(36-2)9-17(14)20(32)33;1-13-20(14(2)33-27-13)15-4-7-17(8-5-15)24(22(30)25-23(31)26-24)12-28-11-16-6-9-18(32-3)10-19(16)21(28)29/h3-15H,16-17H2,1-2H3,(H2,31,32,36,37);2-10,13H,11-12H2,1H3,(H,31,32)(H2,33,34,37,38);3-10H,11-12H2,1-2H3,(H2,29,30,34,35);4-10H,11-12H2,1-3H3,(H2,25,26,30,31)/t29-;26-;23-;24-/m0010/s1
• InChIKey: SLKPUKNTAUYPNA-KWBZGEFXSA-N
• XLogP: 12.96
• TPSA: 441.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1988.94
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione (CID 160868295) is (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c(C)noc4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C(F)(F)F)cc5[nH]cnc45)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(-c5ccccc5)c4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cnn(C)c4C(F)(F)F)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione?

The InChIKey is SLKPUKNTAUYPNA-KWBZGEFXSA-N. The full InChI is InChI=1S/C29H25N5O4.C27H20F3N5O4.C24H20F3N5O4.C24H22N4O5/c1-18-25(15-30-34(18)22-6-4-3-5-7-22)19-8-11-21(12-9-19)29(27(36)31-28(37)32-29)17-33-16-20-10-13-23(38-2)14-24(20)26(33)35;1-39-18-7-4-15-11-35(23(36)20(15)10-18)12-26(24(37)33-25(38)34-26)16-5-2-14(3-6-16)19-8-17(27(28,29)30)9-21-22(19)32-13-31-21;1-31-19(24(25,26)27)18(10-28-31)13-3-6-15(7-4-13)23(21(34)29-22(35)30-23)12-32-11-14-5-8-16(36-2)9-17(14)20(32)33;1-13-20(14(2)33-27-13)15-4-7-17(8-5-15)24(22(30)25-23(31)26-24)12-28-11-16-6-9-18(32-3)10-19(16)21(28)29/h3-15H,16-17H2,1-2H3,(H2,31,32,36,37);2-10,13H,11-12H2,1H3,(H,31,32)(H2,33,34,37,38);3-10H,11-12H2,1-2H3,(H2,29,30,34,35);4-10H,11-12H2,1-3H3,(H2,25,26,30,31)/t29-;26-;23-;24-/m0010/s1.

What are the key properties of (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1988.94 g/mol, XLogP of 12.96, 21 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160868295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).