2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol

C18H28N2O — CID 56624221

IUPAC2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol
SMILESCC1N=CCN1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H28N2O/c1-12-19-8-9-20(12)13-10-14(17(2,3)4)16(21)15(11-13)18(5,6)7/h8,10-12,21H,9H2,1-7H3
InChIKeyXEQFIRMCCQTLCG-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.22
Rot. Bonds1

About 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol

2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol (PubChem CID 56624221) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol
PubChem CID56624221
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol
SMILESCC1N=CCN1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H28N2O/c1-12-19-8-9-20(12)13-10-14(17(2,3)4)16(21)15(11-13)18(5,6)7/h8,10-12,21H,9H2,1-7H3
InChIKeyXEQFIRMCCQTLCG-UHFFFAOYSA-N
XLogP4.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol (CID 56624221) is 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol is CC1N=CCN1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol?
The InChIKey is XEQFIRMCCQTLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-19-8-9-20(12)13-10-14(17(2,3)4)16(21)15(11-13)18(5,6)7/h8,10-12,21H,9H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol?
2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol has a molecular weight of 288.44 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2-methyl-2,4-dihydroimidazol-3-yl)phenol is sourced from PubChem (CID 56624221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).