5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one

C56H54F2N4O7 — CID 143298924

IUPAC5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one
SMILESO=C1NC(CCCC(O)c2ccc(F)cc2)C(c2ccc(-c3cccc(OO[C@H](CCC[C@H]4NCN(c5ccccc5)[C@@H]4c4ccc(O)cc4O)c4ccc(F)cc4)c3)cc2O)N1c1ccccc1
InChIInChI=1S/C56H54F2N4O7/c57-40-25-20-36(21-26-40)50(64)18-8-17-49-55(62(56(67)60-49)43-13-5-2-6-14-43)47-30-24-39(33-51(47)65)38-10-7-15-45(32-38)68-69-53(37-22-27-41(58)28-23-37)19-9-16-48-54(46-31-29-44(63)34-52(46)66)61(35-59-48)42-11-3-1-4-12-42/h1-7,10-15,20-34,48-50,53-55,59,63-66H,8-9,16-19,35H2,(H,60,67)/t48-,49?,50?,53-,54-,55?/m1/s1
InChIKeyWEDOGZGPTUHEER-ADHJEAAWSA-N
MW933.07 g/mol
LogP11.69
Rot. Bonds18

About 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one

5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one (PubChem CID 143298924) has the molecular formula C56H54F2N4O7 and a molecular weight of 933.07 g/mol. Its IUPAC name is 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one.

Molecular Properties

Compound Name5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one
PubChem CID143298924
Molecular FormulaC56H54F2N4O7
Molecular Weight933.07 g/mol
Exact Mass932.40
IUPAC Name5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one
SMILESO=C1NC(CCCC(O)c2ccc(F)cc2)C(c2ccc(-c3cccc(OO[C@H](CCC[C@H]4NCN(c5ccccc5)[C@@H]4c4ccc(O)cc4O)c4ccc(F)cc4)c3)cc2O)N1c1ccccc1
InChIInChI=1S/C56H54F2N4O7/c57-40-25-20-36(21-26-40)50(64)18-8-17-49-55(62(56(67)60-49)43-13-5-2-6-14-43)47-30-24-39(33-51(47)65)38-10-7-15-45(32-38)68-69-53(37-22-27-41(58)28-23-37)19-9-16-48-54(46-31-29-44(63)34-52(46)66)61(35-59-48)42-11-3-1-4-12-42/h1-7,10-15,20-34,48-50,53-55,59,63-66H,8-9,16-19,35H2,(H,60,67)/t48-,49?,50?,53-,54-,55?/m1/s1
InChIKeyWEDOGZGPTUHEER-ADHJEAAWSA-N
XLogP11.69
TPSA146.99 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500933.07
LogP ≤ 511.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one?
The IUPAC name of 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one (CID 143298924) is 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one.
What is the SMILES notation for 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one?
The canonical SMILES for 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one is O=C1NC(CCCC(O)c2ccc(F)cc2)C(c2ccc(-c3cccc(OO[C@H](CCC[C@H]4NCN(c5ccccc5)[C@@H]4c4ccc(O)cc4O)c4ccc(F)cc4)c3)cc2O)N1c1ccccc1.
What is the InChIKey of 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one?
The InChIKey is WEDOGZGPTUHEER-ADHJEAAWSA-N. The full InChI is InChI=1S/C56H54F2N4O7/c57-40-25-20-36(21-26-40)50(64)18-8-17-49-55(62(56(67)60-49)43-13-5-2-6-14-43)47-30-24-39(33-51(47)65)38-10-7-15-45(32-38)68-69-53(37-22-27-41(58)28-23-37)19-9-16-48-54(46-31-29-44(63)34-52(46)66)61(35-59-48)42-11-3-1-4-12-42/h1-7,10-15,20-34,48-50,53-55,59,63-66H,8-9,16-19,35H2,(H,60,67)/t48-,49?,50?,53-,54-,55?/m1/s1.
What are the key properties of 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one?
5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one has a molecular weight of 933.07 g/mol, XLogP of 11.69, 18 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[(1R)-4-[(4R,5R)-5-(2,4-dihydroxyphenyl)-1-phenylimidazolidin-4-yl]-1-(4-fluorophenyl)butyl]peroxyphenyl]-2-hydroxyphenyl]-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-1-phenylimidazolidin-2-one is sourced from PubChem (CID 143298924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).