2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol

C24H30N2O — CID 136594086

IUPAC2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
SMILESCc1[nH]c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1-c1ccccc1
InChIInChI=1S/C24H30N2O/c1-15-20(16-11-9-8-10-12-16)26-22(25-15)17-13-18(23(2,3)4)21(27)19(14-17)24(5,6)7/h8-14,27H,1-7H3,(H,25,26)
InChIKeyAZWZCJYTEQPUDW-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.35
Rot. Bonds2

About 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol

2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol (PubChem CID 136594086) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
PubChem CID136594086
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
SMILESCc1[nH]c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1-c1ccccc1
InChIInChI=1S/C24H30N2O/c1-15-20(16-11-9-8-10-12-16)26-22(25-15)17-13-18(23(2,3)4)21(27)19(14-17)24(5,6)7/h8-14,27H,1-7H3,(H,25,26)
InChIKeyAZWZCJYTEQPUDW-UHFFFAOYSA-N
XLogP6.35
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol (CID 136594086) is 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol is Cc1[nH]c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1-c1ccccc1.
What is the InChIKey of 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol?
The InChIKey is AZWZCJYTEQPUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-15-20(16-11-9-8-10-12-16)26-22(25-15)17-13-18(23(2,3)4)21(27)19(14-17)24(5,6)7/h8-14,27H,1-7H3,(H,25,26).
What are the key properties of 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol?
2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol has a molecular weight of 362.52 g/mol, XLogP of 6.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 136594086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).