2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol

C36H37N3O — CID 137083100

IUPAC2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C36H37N3O/c1-35(2,3)27-21-26(33(40)29(22-27)36(4,5)6)23-37-30-20-14-13-19-28(30)34-38-31(24-15-9-7-10-16-24)32(39-34)25-17-11-8-12-18-25/h7-23,40H,1-6H3,(H,38,39)/b37-23+
InChIKeyKTLAMOBYQGVFKT-GUBAARJWSA-N
MW527.71 g/mol
LogP9.46
Rot. Bonds5

About 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol

2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 137083100) has the molecular formula C36H37N3O and a molecular weight of 527.71 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID137083100
Molecular FormulaC36H37N3O
Molecular Weight527.71 g/mol
Exact Mass527.29
IUPAC Name2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C36H37N3O/c1-35(2,3)27-21-26(33(40)29(22-27)36(4,5)6)23-37-30-20-14-13-19-28(30)34-38-31(24-15-9-7-10-16-24)32(39-34)25-17-11-8-12-18-25/h7-23,40H,1-6H3,(H,38,39)/b37-23+
InChIKeyKTLAMOBYQGVFKT-GUBAARJWSA-N
XLogP9.46
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 59.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
copper;bis(2,4-ditert-butyl-6-(4,5-diphenyl-1H-imidazol-2-yl)phenolate);methanol
CID 139155077
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
2,4-ditert-butyl-6-[[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 137211461
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
CID 162278985
CID 162278985
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
CID 137225849
2,4-ditert-butyl-6-[(2-phenylsulfanylphenyl)iminomethyl]phenol;trichlorotitanium
CID 135475785

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol (CID 137083100) is 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol is CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is KTLAMOBYQGVFKT-GUBAARJWSA-N. The full InChI is InChI=1S/C36H37N3O/c1-35(2,3)27-21-26(33(40)29(22-27)36(4,5)6)23-37-30-20-14-13-19-28(30)34-38-31(24-15-9-7-10-16-24)32(39-34)25-17-11-8-12-18-25/h7-23,40H,1-6H3,(H,38,39)/b37-23+.
What are the key properties of 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol?
2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 527.71 g/mol, XLogP of 9.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 137083100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).