(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione

C105H98F5N17O19 — CID 157322748

About (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione

(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione (PubChem CID 157322748) has the molecular formula C105H98F5N17O19 and a molecular weight of 1997.03 g/mol. Its IUPAC name is (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione
• PubChem CID: 157322748
• Molecular Formula: C105H98F5N17O19
• Molecular Weight: 1997.03 g/mol
• Exact Mass: 1995.71
• IUPAC Name: (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(/C=C/c3cccc(C(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3cc(F)cc(F)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc(F)cc3F)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3cccnc3)NC(=O)NC1=O)C2.O=C1NC(=O)C(/C=C\c2cccnc2)(CN2Cc3ccc(F)cc3C2=O)N1
• InChI: InChI=1S/C24H25N3O4.2C21H19F2N3O4.C20H20N4O4.C19H15FN4O3/c1-15(2)17-6-4-5-16(11-17)9-10-24(22(29)25-23(30)26-24)14-27-13-18-7-8-19(31-3)12-20(18)21(27)28;1-30-15-5-3-13-10-26(18(27)16(13)9-15)11-21(19(28)24-20(29)25-21)7-6-12-2-4-14(22)8-17(12)23;1-30-16-3-2-13-10-26(18(27)17(13)9-16)11-21(19(28)24-20(29)25-21)5-4-12-6-14(22)8-15(23)7-12;1-28-15-5-4-14-11-24(17(25)16(14)9-15)12-20(18(26)22-19(27)23-20)7-6-13-3-2-8-21-10-13;20-14-4-3-13-10-24(16(25)15(13)8-14)11-19(17(26)22-18(27)23-19)6-5-12-2-1-7-21-9-12/h4-12,15H,13-14H2,1-3H3,(H2,25,26,29,30);2-5,8-9H,6-7,10-11H2,1H3,(H2,24,25,28,29);2-3,6-9H,4-5,10-11H2,1H3,(H2,24,25,28,29);2-5,8-10H,6-7,11-12H2,1H3,(H2,22,23,26,27);1-9H,10-11H2,(H2,22,23,26,27)/b10-9+;;;;6-5+/t24-;2*21-;20-;/m1111./s1
• InChIKey: BEJAXEKYLXBOJI-KUUJBFPWSA-N
• XLogP: 10.07
• TPSA: 455.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.03
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione (CID 157322748) is (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(/C=C/c3cccc(C(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3cc(F)cc(F)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc(F)cc3F)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3cccnc3)NC(=O)NC1=O)C2.O=C1NC(=O)C(/C=C\c2cccnc2)(CN2Cc3ccc(F)cc3C2=O)N1.

What is the InChIKey of (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione?

The InChIKey is BEJAXEKYLXBOJI-KUUJBFPWSA-N. The full InChI is InChI=1S/C24H25N3O4.2C21H19F2N3O4.C20H20N4O4.C19H15FN4O3/c1-15(2)17-6-4-5-16(11-17)9-10-24(22(29)25-23(30)26-24)14-27-13-18-7-8-19(31-3)12-20(18)21(27)28;1-30-15-5-3-13-10-26(18(27)16(13)9-15)11-21(19(28)24-20(29)25-21)7-6-12-2-4-14(22)8-17(12)23;1-30-16-3-2-13-10-26(18(27)17(13)9-16)11-21(19(28)24-20(29)25-21)5-4-12-6-14(22)8-15(23)7-12;1-28-15-5-4-14-11-24(17(25)16(14)9-15)12-20(18(26)22-19(27)23-20)7-6-13-3-2-8-21-10-13;20-14-4-3-13-10-24(16(25)15(13)8-14)11-19(17(26)22-18(27)23-19)6-5-12-2-1-7-21-9-12/h4-12,15H,13-14H2,1-3H3,(H2,25,26,29,30);2-5,8-9H,6-7,10-11H2,1H3,(H2,24,25,28,29);2-3,6-9H,4-5,10-11H2,1H3,(H2,24,25,28,29);2-5,8-10H,6-7,11-12H2,1H3,(H2,22,23,26,27);1-9H,10-11H2,(H2,22,23,26,27)/b10-9+;;;;6-5+/t24-;2*21-;20-;/m1111./s1.

What are the key properties of (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione?

(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione has a molecular weight of 1997.03 g/mol, XLogP of 10.07, 28 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[(Z)-2-pyridin-3-ylethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(E)-2-(3-propan-2-ylphenyl)ethenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 157322748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).