5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione

C106H79F6N19O15 — CID 158620082

About 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione

5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione (PubChem CID 158620082) has the molecular formula C106H79F6N19O15 and a molecular weight of 1972.90 g/mol. Its IUPAC name is 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 158620082
• Molecular Formula: C106H79F6N19O15
• Molecular Weight: 1972.90 g/mol
• Exact Mass: 1971.59
• IUPAC Name: 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
• SMILES: Cc1cc(-c2ccc([C@]3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)cc2[nH]cnc12.Cn1nc(C=O)cc1-c1ccc([C@@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3cc(C(F)(F)F)cc4[nH]cnc34)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(OCC#CCO)cc3C2=O)(c2ccc(-c3cccc4cccnc34)cc2)N1
• InChI: InChI=1S/C31H24N4O5.C26H17F4N5O3.C26H20FN5O3.C23H18FN5O4/c36-15-1-2-16-40-24-13-10-22-18-35(28(37)26(22)17-24)19-31(29(38)33-30(39)34-31)23-11-8-20(9-12-23)25-7-3-5-21-6-4-14-32-27(21)25;27-17-6-3-14-10-35(22(36)19(14)9-17)11-25(23(37)33-24(38)34-25)15-4-1-13(2-5-15)18-7-16(26(28,29)30)8-20-21(18)32-12-31-20;1-14-8-17(9-21-22(14)29-13-28-21)15-2-5-18(6-3-15)26(24(34)30-25(35)31-26)12-32-11-16-4-7-19(27)10-20(16)23(32)33;1-28-19(9-17(11-30)27-28)13-2-5-15(6-3-13)23(21(32)25-22(33)26-23)12-29-10-14-4-7-16(24)8-18(14)20(29)31/h3-14,17,36H,15-16,18-19H2,(H2,33,34,38,39);1-9,12H,10-11H2,(H,31,32)(H2,33,34,37,38);2-10,13H,11-12H2,1H3,(H,28,29)(H2,30,31,34,35);2-9,11H,10,12H2,1H3,(H2,25,26,32,33)/t31-;25-;26-;23-/m0001/s1
• InChIKey: HXWQFXMKMJMMLY-OLHIFCJQSA-N
• XLogP: 12.14
• TPSA: 448.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.90
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione (CID 158620082) is 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione is Cc1cc(-c2ccc([C@]3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)cc2[nH]cnc12.Cn1nc(C=O)cc1-c1ccc([C@@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3cc(C(F)(F)F)cc4[nH]cnc34)cc2)N1.O=C1NC(=O)[C@](CN2Cc3ccc(OCC#CCO)cc3C2=O)(c2ccc(-c3cccc4cccnc34)cc2)N1.

What is the InChIKey of 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?

The InChIKey is HXWQFXMKMJMMLY-OLHIFCJQSA-N. The full InChI is InChI=1S/C31H24N4O5.C26H17F4N5O3.C26H20FN5O3.C23H18FN5O4/c36-15-1-2-16-40-24-13-10-22-18-35(28(37)26(22)17-24)19-31(29(38)33-30(39)34-31)23-11-8-20(9-12-23)25-7-3-5-21-6-4-14-32-27(21)25;27-17-6-3-14-10-35(22(36)19(14)9-17)11-25(23(37)33-24(38)34-25)15-4-1-13(2-5-15)18-7-16(26(28,29)30)8-20-21(18)32-12-31-20;1-14-8-17(9-21-22(14)29-13-28-21)15-2-5-18(6-3-15)26(24(34)30-25(35)31-26)12-32-11-16-4-7-19(27)10-20(16)23(32)33;1-28-19(9-17(11-30)27-28)13-2-5-15(6-3-13)23(21(32)25-22(33)26-23)12-29-10-14-4-7-16(24)8-18(14)20(29)31/h3-14,17,36H,15-16,18-19H2,(H2,33,34,38,39);1-9,12H,10-11H2,(H,31,32)(H2,33,34,37,38);2-10,13H,11-12H2,1H3,(H,28,29)(H2,30,31,34,35);2-9,11H,10,12H2,1H3,(H2,25,26,32,33)/t31-;25-;26-;23-/m0001/s1.

What are the key properties of 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?

5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 1972.90 g/mol, XLogP of 12.14, 19 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(4S)-4-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-1-methylpyrazole-3-carbaldehyde;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(7-methyl-3H-benzimidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158620082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).