(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C112H92F2N24O14 — CID 159383184

About (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 159383184) has the molecular formula C112H92F2N24O14 and a molecular weight of 2036.12 g/mol. Its IUPAC name is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 159383184
• Molecular Formula: C112H92F2N24O14
• Molecular Weight: 2036.12 g/mol
• Exact Mass: 2034.72
• IUPAC Name: (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5nn(C(C)C)cc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-n5ccnc5)cc4)cc3)NC(=O)NC1=O)C2.Cn1nnc(-c2ccccc2-c2ccc(C3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)n1.Cn1nnnc1-c1ccccc1-c1ccc(C2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1
• InChI: InChI=1S/C32H29N5O4.C28H23N5O4.2C26H20FN7O3/c1-4-5-14-41-26-12-8-23-17-36(29(38)27(23)16-26)19-32(30(39)33-31(40)34-32)25-10-6-21(7-11-25)22-9-13-28-24(15-22)18-37(35-28)20(2)3;1-37-23-11-6-20-15-33(25(34)24(20)14-23)16-28(26(35)30-27(36)31-28)21-7-2-18(3-8-21)19-4-9-22(10-5-19)32-13-12-29-17-32;1-33-22(30-31-32-33)20-5-3-2-4-19(20)15-6-9-17(10-7-15)26(24(36)28-25(37)29-26)14-34-13-16-8-11-18(27)12-21(16)23(34)35;1-33-31-22(30-32-33)20-5-3-2-4-19(20)15-6-9-17(10-7-15)26(24(36)28-25(37)29-26)14-34-13-16-8-11-18(27)12-21(16)23(34)35/h6-13,15-16,18,20H,14,17,19H2,1-3H3,(H2,33,34,39,40);2-14,17H,15-16H2,1H3,(H2,30,31,35,36);2*2-12H,13-14H2,1H3,(H2,28,29,36,37)/t32-;28-;;/m00../s1
• InChIKey: LLEALUFSUVEPNG-VSQYUJODSA-N
• XLogP: 12.36
• TPSA: 455.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2036.12
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

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-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 159383184) is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5nn(C(C)C)cc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-n5ccnc5)cc4)cc3)NC(=O)NC1=O)C2.Cn1nnc(-c2ccccc2-c2ccc(C3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)n1.Cn1nnnc1-c1ccccc1-c1ccc(C2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1.

What is the InChIKey of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is LLEALUFSUVEPNG-VSQYUJODSA-N. The full InChI is InChI=1S/C32H29N5O4.C28H23N5O4.2C26H20FN7O3/c1-4-5-14-41-26-12-8-23-17-36(29(38)27(23)16-26)19-32(30(39)33-31(40)34-32)25-10-6-21(7-11-25)22-9-13-28-24(15-22)18-37(35-28)20(2)3;1-37-23-11-6-20-15-33(25(34)24(20)14-23)16-28(26(35)30-27(36)31-28)21-7-2-18(3-8-21)19-4-9-22(10-5-19)32-13-12-29-17-32;1-33-22(30-31-32-33)20-5-3-2-4-19(20)15-6-9-17(10-7-15)26(24(36)28-25(37)29-26)14-34-13-16-8-11-18(27)12-21(16)23(34)35;1-33-31-22(30-32-33)20-5-3-2-4-19(20)15-6-9-17(10-7-15)26(24(36)28-25(37)29-26)14-34-13-16-8-11-18(27)12-21(16)23(34)35/h6-13,15-16,18,20H,14,17,19H2,1-3H3,(H2,33,34,39,40);2-14,17H,15-16H2,1H3,(H2,30,31,35,36);2*2-12H,13-14H2,1H3,(H2,28,29,36,37)/t32-;28-;;/m00../s1.

What are the key properties of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 2036.12 g/mol, XLogP of 12.36, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(4-imidazol-1-ylphenyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159383184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).