2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol

C33H52N2O2 — CID 102321360

IUPAC2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol
SMILESCC(C)(C)c1cc(CN2CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C33H52N2O2/c1-30(2,3)24-15-22(28(36)26(17-24)32(7,8)9)19-34-13-14-35(21-34)20-23-16-25(31(4,5)6)18-27(29(23)37)33(10,11)12/h15-18,36-37H,13-14,19-21H2,1-12H3
InChIKeyXRFTYVCAGISOLD-UHFFFAOYSA-N
MW508.79 g/mol
LogP7.56
Rot. Bonds4

About 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol

2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol (PubChem CID 102321360) has the molecular formula C33H52N2O2 and a molecular weight of 508.79 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol
PubChem CID102321360
Molecular FormulaC33H52N2O2
Molecular Weight508.79 g/mol
Exact Mass508.40
IUPAC Name2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol
SMILESCC(C)(C)c1cc(CN2CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C33H52N2O2/c1-30(2,3)24-15-22(28(36)26(17-24)32(7,8)9)19-34-13-14-35(21-34)20-23-16-25(31(4,5)6)18-27(29(23)37)33(10,11)12/h15-18,36-37H,13-14,19-21H2,1-12H3
InChIKeyXRFTYVCAGISOLD-UHFFFAOYSA-N
XLogP7.56
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol (CID 102321360) is 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol is CC(C)(C)c1cc(CN2CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol?
The InChIKey is XRFTYVCAGISOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N2O2/c1-30(2,3)24-15-22(28(36)26(17-24)32(7,8)9)19-34-13-14-35(21-34)20-23-16-25(31(4,5)6)18-27(29(23)37)33(10,11)12/h15-18,36-37H,13-14,19-21H2,1-12H3.
What are the key properties of 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol?
2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol has a molecular weight of 508.79 g/mol, XLogP of 7.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol is sourced from PubChem (CID 102321360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).