(5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione

C139H108F3N27O20 — CID 158837532

About (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 158837532) has the molecular formula C139H108F3N27O20 and a molecular weight of 2533.56 g/mol. Its IUPAC name is (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 158837532
• Molecular Formula: C139H108F3N27O20
• Molecular Weight: 2533.56 g/mol
• Exact Mass: 2531.82
• IUPAC Name: (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
• SMILES: Cn1cncc1-c1ccc([C@@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.Cn1cncc1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.Cn1nc(C=O)cc1-c1ccc([C@@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.O=C1NC(=O)[C@](CN2Cc3ccc(OCC4CC4)cc3C2=O)(c2ccc(-c3cccc4cccnc34)cc2)N1.O=C1c2cc(OCc3ccc4nonc4c3)ccc2CN1C[C@]1(c2ccc(-c3cccc4cccnc34)cc2)C(=O)NC(=O)N1Cc1ccc2nonc2c1
• InChI: InChI=1S/C41H28N8O6.C31H26N4O4.C23H18FN5O4.2C22H18FN5O3/c50-38-32-19-30(53-22-25-7-15-34-36(18-25)47-55-45-34)13-10-28(32)21-48(38)23-41(29-11-8-26(9-12-29)31-5-1-3-27-4-2-16-42-37(27)31)39(51)43-40(52)49(41)20-24-6-14-33-35(17-24)46-54-44-33;36-28-26-15-24(39-17-19-6-7-19)13-10-22(26)16-35(28)18-31(29(37)33-30(38)34-31)23-11-8-20(9-12-23)25-5-1-3-21-4-2-14-32-27(21)25;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;2*1-27-12-24-9-18(27)13-2-5-15(6-3-13)22(20(30)25-21(31)26-22)11-28-10-14-4-7-16(23)8-17(14)19(28)29/h1-19H,20-23H2,(H,43,51,52);1-5,8-15,19H,6-7,16-18H2,(H2,33,34,37,38);2-9,11H,10,12H2,1H3,(H2,25,26,32,33);2*2-9,12H,10-11H2,1H3,(H2,25,26,30,31)/t41-;31-;23-;2*22-/m00110/s1
• InChIKey: IXVBWEICQPSLKD-FEJGICJHSA-N
• XLogP: 16.10
• TPSA: 576.37 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2533.56
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione (CID 158837532) is (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione is Cn1cncc1-c1ccc([C@@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.Cn1cncc1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.Cn1nc(C=O)cc1-c1ccc([C@@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.O=C1NC(=O)[C@](CN2Cc3ccc(OCC4CC4)cc3C2=O)(c2ccc(-c3cccc4cccnc34)cc2)N1.O=C1c2cc(OCc3ccc4nonc4c3)ccc2CN1C[C@]1(c2ccc(-c3cccc4cccnc34)cc2)C(=O)NC(=O)N1Cc1ccc2nonc2c1.

What is the InChIKey of (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is IXVBWEICQPSLKD-FEJGICJHSA-N. The full InChI is InChI=1S/C41H28N8O6.C31H26N4O4.C23H18FN5O4.2C22H18FN5O3/c50-38-32-19-30(53-22-25-7-15-34-36(18-25)47-55-45-34)13-10-28(32)21-48(38)23-41(29-11-8-26(9-12-29)31-5-1-3-27-4-2-16-42-37(27)31)39(51)43-40(52)49(41)20-24-6-14-33-35(17-24)46-54-44-33;36-28-26-15-24(39-17-19-6-7-19)13-10-22(26)16-35(28)18-31(29(37)33-30(38)34-31)23-11-8-20(9-12-23)25-5-1-3-21-4-2-14-32-27(21)25;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;2*1-27-12-24-9-18(27)13-2-5-15(6-3-13)22(20(30)25-21(31)26-22)11-28-10-14-4-7-16(23)8-17(14)19(28)29/h1-19H,20-23H2,(H,43,51,52);1-5,8-15,19H,6-7,16-18H2,(H2,33,34,37,38);2-9,11H,10,12H2,1H3,(H2,25,26,32,33);2*2-9,12H,10-11H2,1H3,(H2,25,26,30,31)/t41-;31-;23-;2*22-/m00110/s1.

What are the key properties of (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 2533.56 g/mol, XLogP of 16.10, 29 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[5-(2,1,3-benzoxadiazol-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-1-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-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;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158837532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).