6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

C16H22N2O — CID 71315346

IUPAC6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1Cc1ncc[nH]1
InChIInChI=1S/C16H22N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h6-8,19H,9H2,1-5H3,(H,17,18)
InChIKeyKDWBYTYXTYYVEX-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.62
Rot. Bonds2

About 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol (PubChem CID 71315346) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol.

Molecular Properties

Compound Name6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
PubChem CID71315346
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1Cc1ncc[nH]1
InChIInChI=1S/C16H22N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h6-8,19H,9H2,1-5H3,(H,17,18)
InChIKeyKDWBYTYXTYYVEX-UHFFFAOYSA-N
XLogP3.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The IUPAC name of 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol (CID 71315346) is 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol.
What is the SMILES notation for 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The canonical SMILES for 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol is Cc1cc(C(C)(C)C)c(O)c(C)c1Cc1ncc[nH]1.
What is the InChIKey of 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The InChIKey is KDWBYTYXTYYVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h6-8,19H,9H2,1-5H3,(H,17,18).
What are the key properties of 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol has a molecular weight of 258.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol is sourced from PubChem (CID 71315346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).