(5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

C97H79ClF4N16O16 — CID 158969644

About (5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 158969644) has the molecular formula C97H79ClF4N16O16 and a molecular weight of 1836.24 g/mol. Its IUPAC name is (5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 158969644
• Molecular Formula: C97H79ClF4N16O16
• Molecular Weight: 1836.24 g/mol
• Exact Mass: 1834.55
• IUPAC Name: (5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c(C(F)(F)F)n[nH]c4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(Cl)cc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc(F)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)CN(C[C@@]1(c3ccc(-c4cnccn4)cc3)NC(=O)NC1=O)C2=O
• InChI: InChI=1S/C25H20ClN3O4.C25H20FN3O4.C24H20F3N5O4.C23H19N5O4/c1-33-20-11-6-17-13-29(22(30)21(17)12-20)14-25(23(31)27-24(32)28-25)18-7-2-15(3-8-18)16-4-9-19(26)10-5-16;1-33-20-10-7-17-13-29(22(30)21(17)12-20)14-25(23(31)27-24(32)28-25)18-8-5-15(6-9-18)16-3-2-4-19(26)11-16;1-12-18(19(31-30-12)24(25,26)27)13-3-6-15(7-4-13)23(21(34)28-22(35)29-23)11-32-10-14-5-8-16(36-2)9-17(14)20(32)33;1-32-17-6-7-18-15(10-17)12-28(20(18)29)13-23(21(30)26-22(31)27-23)16-4-2-14(3-5-16)19-11-24-8-9-25-19/h2*2-12H,13-14H2,1H3,(H2,27,28,31,32);3-9H,10-11H2,1-2H3,(H,30,31)(H2,28,29,34,35);2-11H,12-13H2,1H3,(H2,26,27,30,31)/t2*25-;2*23-/m0000/s1
• InChIKey: JNQIPVAKGRCVES-YPIKPVOXSA-N
• XLogP: 11.84
• TPSA: 405.42 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1836.24
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (CID 158969644) is (5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c(C(F)(F)F)n[nH]c4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(Cl)cc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc(F)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)CN(C[C@@]1(c3ccc(-c4cnccn4)cc3)NC(=O)NC1=O)C2=O.

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

The InChIKey is JNQIPVAKGRCVES-YPIKPVOXSA-N. The full InChI is InChI=1S/C25H20ClN3O4.C25H20FN3O4.C24H20F3N5O4.C23H19N5O4/c1-33-20-11-6-17-13-29(22(30)21(17)12-20)14-25(23(31)27-24(32)28-25)18-7-2-15(3-8-18)16-4-9-19(26)10-5-16;1-33-20-10-7-17-13-29(22(30)21(17)12-20)14-25(23(31)27-24(32)28-25)18-8-5-15(6-9-18)16-3-2-4-19(26)11-16;1-12-18(19(31-30-12)24(25,26)27)13-3-6-15(7-4-13)23(21(34)28-22(35)29-23)11-32-10-14-5-8-16(36-2)9-17(14)20(32)33;1-32-17-6-7-18-15(10-17)12-28(20(18)29)13-23(21(30)26-22(31)27-23)16-4-2-14(3-5-16)19-11-24-8-9-25-19/h2*2-12H,13-14H2,1H3,(H2,27,28,31,32);3-9H,10-11H2,1-2H3,(H,30,31)(H2,28,29,34,35);2-11H,12-13H2,1H3,(H2,26,27,30,31)/t2*25-;2*23-/m0000/s1.

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

(5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 1836.24 g/mol, XLogP of 11.84, 20 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(4-chlorophenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(3-fluorophenyl)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-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158969644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).