(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C88H100BrN11O15Si3 — CID 162085127

IUPAC(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILESCC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)ccn4)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.C[Si](C)(C)CCOCN1C(=O)N[C@@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(Br)cc2)C1=O.Cc1ccnc(-c2ccc([C@]3(CN4Cc5ccc(O)cc5C4=O)NC(=O)N(COCC[Si](C)(C)C)C3=O)cc2)c1
InChIInChI=1S/C34H38N4O5Si.C30H34N4O5Si.C24H28BrN3O5Si/c1-6-7-16-43-28-13-10-26-21-37(31(39)29(26)20-28)22-34(27-11-8-25(9-12-27)30-19-24(2)14-15-35-30)32(40)38(33(41)36-34)23-42-17-18-44(3,4)5;1-20-11-12-31-26(15-20)21-5-8-23(9-6-21)30(18-33-17-22-7-10-24(35)16-25(22)27(33)36)28(37)34(29(38)32-30)19-39-13-14-40(2,3)4;1-34(2,3)11-10-33-15-28-22(31)24(26-23(28)32,17-5-7-18(25)8-6-17)14-27-13-16-4-9-19(29)12-20(16)21(27)30/h8-15,19-20H,16-18,21-23H2,1-5H3,(H,36,41);5-12,15-16,35H,13-14,17-19H2,1-4H3,(H,32,38);4-9,12,29H,10-11,13-15H2,1-3H3,(H,26,32)/t34-;30-;24-/m000/s1
InChIKeyZCVZTCCUWCPFNA-IEVWOQMUSA-N
MW1715.99 g/mol
LogP13.52
Rot. Bonds28

About (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 162085127) has the molecular formula C88H100BrN11O15Si3 and a molecular weight of 1715.99 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
PubChem CID162085127
Molecular FormulaC88H100BrN11O15Si3
Molecular Weight1715.99 g/mol
Exact Mass1713.59
IUPAC Name(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILESCC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)ccn4)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.C[Si](C)(C)CCOCN1C(=O)N[C@@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(Br)cc2)C1=O.Cc1ccnc(-c2ccc([C@]3(CN4Cc5ccc(O)cc5C4=O)NC(=O)N(COCC[Si](C)(C)C)C3=O)cc2)c1
InChIInChI=1S/C34H38N4O5Si.C30H34N4O5Si.C24H28BrN3O5Si/c1-6-7-16-43-28-13-10-26-21-37(31(39)29(26)20-28)22-34(27-11-8-25(9-12-27)30-19-24(2)14-15-35-30)32(40)38(33(41)36-34)23-42-17-18-44(3,4)5;1-20-11-12-31-26(15-20)21-5-8-23(9-6-21)30(18-33-17-22-7-10-24(35)16-25(22)27(33)36)28(37)34(29(38)32-30)19-39-13-14-40(2,3)4;1-34(2,3)11-10-33-15-28-22(31)24(26-23(28)32,17-5-7-18(25)8-6-17)14-27-13-16-4-9-19(29)12-20(16)21(27)30/h8-15,19-20H,16-18,21-23H2,1-5H3,(H,36,41);5-12,15-16,35H,13-14,17-19H2,1-4H3,(H,32,38);4-9,12,29H,10-11,13-15H2,1-3H3,(H,26,32)/t34-;30-;24-/m000/s1
InChIKeyZCVZTCCUWCPFNA-IEVWOQMUSA-N
XLogP13.52
TPSA312.32 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001715.99
LogP ≤ 513.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 162085127) is (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C)ccn4)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.C[Si](C)(C)CCOCN1C(=O)N[C@@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(Br)cc2)C1=O.Cc1ccnc(-c2ccc([C@]3(CN4Cc5ccc(O)cc5C4=O)NC(=O)N(COCC[Si](C)(C)C)C3=O)cc2)c1.
What is the InChIKey of (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The InChIKey is ZCVZTCCUWCPFNA-IEVWOQMUSA-N. The full InChI is InChI=1S/C34H38N4O5Si.C30H34N4O5Si.C24H28BrN3O5Si/c1-6-7-16-43-28-13-10-26-21-37(31(39)29(26)20-28)22-34(27-11-8-25(9-12-27)30-19-24(2)14-15-35-30)32(40)38(33(41)36-34)23-42-17-18-44(3,4)5;1-20-11-12-31-26(15-20)21-5-8-23(9-6-21)30(18-33-17-22-7-10-24(35)16-25(22)27(33)36)28(37)34(29(38)32-30)19-39-13-14-40(2,3)4;1-34(2,3)11-10-33-15-28-22(31)24(26-23(28)32,17-5-7-18(25)8-6-17)14-27-13-16-4-9-19(29)12-20(16)21(27)30/h8-15,19-20H,16-18,21-23H2,1-5H3,(H,36,41);5-12,15-16,35H,13-14,17-19H2,1-4H3,(H,32,38);4-9,12,29H,10-11,13-15H2,1-3H3,(H,26,32)/t34-;30-;24-/m000/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 1715.99 g/mol, XLogP of 13.52, 28 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 162085127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).