(5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione

C118H101F2N19O23 — CID 159086051

About (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione

(5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 159086051) has the molecular formula C118H101F2N19O23 and a molecular weight of 2191.21 g/mol. Its IUPAC name is (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
• PubChem CID: 159086051
• Molecular Formula: C118H101F2N19O23
• Molecular Weight: 2191.21 g/mol
• Exact Mass: 2189.73
• IUPAC Name: (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
• SMILES: CC#CCOc1ccc([C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1.Cn1cc(-c2ccc([C@]3(CN4Cc5ccc(OCC6CC6)cc5C4=O)NC(=O)NC3=O)cc2)cn1.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(F)cn3)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(OCC#CCO)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(OCc3cccnc3)cc2)N1
• InChI: InChI=1S/C26H25N5O4.C24H20N4O5.C23H16F2N4O3.C23H21N3O5.C22H19N3O6/c1-30-12-19(11-27-30)17-4-7-20(8-5-17)26(24(33)28-25(34)29-26)15-31-13-18-6-9-21(10-22(18)23(31)32)35-14-16-2-3-16;29-18-6-3-16-12-28(21(30)20(16)10-18)14-24(22(31)26-23(32)27-24)17-4-7-19(8-5-17)33-13-15-2-1-9-25-11-15;24-16-6-3-14-11-29(20(30)18(14)9-16)12-23(21(31)27-22(32)28-23)15-4-1-13(2-5-15)19-8-7-17(25)10-26-19;1-3-4-11-31-17-9-6-16(7-10-17)23(21(28)24-22(29)25-23)14-26-13-15-5-8-18(30-2)12-19(15)20(26)27;26-9-1-2-10-31-17-7-4-15(5-8-17)22(20(29)23-21(30)24-22)13-25-12-14-3-6-16(27)11-18(14)19(25)28/h4-12,16H,2-3,13-15H2,1H3,(H2,28,29,33,34);1-11,29H,12-14H2,(H2,26,27,31,32);1-10H,11-12H2,(H2,27,28,31,32);5-10,12H,11,13-14H2,1-2H3,(H2,24,25,28,29);3-8,11,26-27H,9-10,12-13H2,(H2,23,24,29,30)/t26-;24-;2*23-;22-/m00000/s1
• InChIKey: KBLNIHHKZPJXBA-LBLZRFGTSA-N
• XLogP: 9.59
• TPSA: 542.99 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2191.21
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione (CID 159086051) is (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione is CC#CCOc1ccc([C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1.Cn1cc(-c2ccc([C@]3(CN4Cc5ccc(OCC6CC6)cc5C4=O)NC(=O)NC3=O)cc2)cn1.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(F)cn3)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(OCC#CCO)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(OCc3cccnc3)cc2)N1.

What is the InChIKey of (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione?

The InChIKey is KBLNIHHKZPJXBA-LBLZRFGTSA-N. The full InChI is InChI=1S/C26H25N5O4.C24H20N4O5.C23H16F2N4O3.C23H21N3O5.C22H19N3O6/c1-30-12-19(11-27-30)17-4-7-20(8-5-17)26(24(33)28-25(34)29-26)15-31-13-18-6-9-21(10-22(18)23(31)32)35-14-16-2-3-16;29-18-6-3-16-12-28(21(30)20(16)10-18)14-24(22(31)26-23(32)27-24)17-4-7-19(8-5-17)33-13-15-2-1-9-25-11-15;24-16-6-3-14-11-29(20(30)18(14)9-16)12-23(21(31)27-22(32)28-23)15-4-1-13(2-5-15)19-8-7-17(25)10-26-19;1-3-4-11-31-17-9-6-16(7-10-17)23(21(28)24-22(29)25-23)14-26-13-15-5-8-18(30-2)12-19(15)20(26)27;26-9-1-2-10-31-17-7-4-15(5-8-17)22(20(29)23-21(30)24-22)13-25-12-14-3-6-16(27)11-18(14)19(25)28/h4-12,16H,2-3,13-15H2,1H3,(H2,28,29,33,34);1-11,29H,12-14H2,(H2,26,27,31,32);1-10H,11-12H2,(H2,27,28,31,32);5-10,12H,11,13-14H2,1-2H3,(H2,24,25,28,29);3-8,11,26-27H,9-10,12-13H2,(H2,23,24,29,30)/t26-;24-;2*23-;22-/m00000/s1.

What are the key properties of (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione?

(5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 2191.21 g/mol, XLogP of 9.59, 28 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(4-but-2-ynoxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159086051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).