5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione

C100H90Cl2FN17O21 — CID 159607210

About 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione

5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 159607210) has the molecular formula C100H90Cl2FN17O21 and a molecular weight of 1955.82 g/mol. Its IUPAC name is 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 159607210
• Molecular Formula: C100H90Cl2FN17O21
• Molecular Weight: 1955.82 g/mol
• Exact Mass: 1953.59
• IUPAC Name: 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
• SMILES: CC#CCOc1cc2c(cc1Cl)C(=O)N(CC1(C)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(CC5CC5)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(C)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3cc(O)c(Cl)cc3C2=O)(c2ccc(F)cc2)N1.O=C1NC(=O)[C@](CN2Cc3cc(OCC#CCO)ccc3C2=O)(c2ccccc2)N1
• InChI: InChI=1S/C29H27N5O4.C22H19N3O5.C18H13ClFN3O4.C17H16ClN3O4.C14H15N3O4/c1-2-3-12-38-24-11-8-21-16-33(26(35)25(21)13-24)18-29(27(36)31-28(37)32-29)23-9-6-20(7-10-23)22-14-30-34(17-22)15-19-4-5-19;26-10-4-5-11-30-17-8-9-18-15(12-17)13-25(19(18)27)14-22(16-6-2-1-3-7-16)20(28)23-21(29)24-22;19-13-6-12-9(5-14(13)24)7-23(15(12)25)8-18(16(26)21-17(27)22-18)10-1-3-11(20)4-2-10;1-3-4-5-25-13-6-10-8-21(14(22)11(10)7-12(13)18)9-17(2)15(23)19-16(24)20-17;1-14(12(19)15-13(20)16-14)7-17-6-8-3-4-9(21-2)5-10(8)11(17)18/h6-11,13-14,17,19H,4-5,12,15-16,18H2,1H3,(H2,31,32,36,37);1-3,6-9,12,26H,10-11,13-14H2,(H2,23,24,28,29);1-6,24H,7-8H2,(H2,21,22,26,27);6-7H,5,8-9H2,1-2H3,(H2,19,20,23,24);3-5H,6-7H2,1-2H3,(H2,15,16,19,20)/t29-;22-;18-;;/m000../s1
• InChIKey: MMFRHANEZMZWRF-PAASMKOZSA-N
• XLogP: 7.23
• TPSA: 487.75 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1955.82
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

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 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 159607210) is 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione is CC#CCOc1cc2c(cc1Cl)C(=O)N(CC1(C)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnn(CC5CC5)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(C)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3cc(O)c(Cl)cc3C2=O)(c2ccc(F)cc2)N1.O=C1NC(=O)[C@](CN2Cc3cc(OCC#CCO)ccc3C2=O)(c2ccccc2)N1.

What is the InChIKey of 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is MMFRHANEZMZWRF-PAASMKOZSA-N. The full InChI is InChI=1S/C29H27N5O4.C22H19N3O5.C18H13ClFN3O4.C17H16ClN3O4.C14H15N3O4/c1-2-3-12-38-24-11-8-21-16-33(26(35)25(21)13-24)18-29(27(36)31-28(37)32-29)23-9-6-20(7-10-23)22-14-30-34(17-22)15-19-4-5-19;26-10-4-5-11-30-17-8-9-18-15(12-17)13-25(19(18)27)14-22(16-6-2-1-3-7-16)20(28)23-21(29)24-22;19-13-6-12-9(5-14(13)24)7-23(15(12)25)8-18(16(26)21-17(27)22-18)10-1-3-11(20)4-2-10;1-3-4-5-25-13-6-10-8-21(14(22)11(10)7-12(13)18)9-17(2)15(23)19-16(24)20-17;1-14(12(19)15-13(20)16-14)7-17-6-8-3-4-9(21-2)5-10(8)11(17)18/h6-11,13-14,17,19H,4-5,12,15-16,18H2,1H3,(H2,31,32,36,37);1-3,6-9,12,26H,10-11,13-14H2,(H2,23,24,28,29);1-6,24H,7-8H2,(H2,21,22,26,27);6-7H,5,8-9H2,1-2H3,(H2,19,20,23,24);3-5H,6-7H2,1-2H3,(H2,15,16,19,20)/t29-;22-;18-;;/m000../s1.

What are the key properties of 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?

5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 1955.82 g/mol, XLogP of 7.23, 23 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6-but-2-ynoxy-5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-chloro-6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 159607210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).