6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

C16H22N2O2 — CID 118753143

IUPAC6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
SMILESCc1cc(C(C)(C)CO)c(O)c(C)c1Cc1ncc[nH]1
InChIInChI=1S/C16H22N2O2/c1-10-7-13(16(3,4)9-19)15(20)11(2)12(10)8-14-17-5-6-18-14/h5-7,19-20H,8-9H2,1-4H3,(H,17,18)
InChIKeyGTYONBALMIDUDK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.59
Rot. Bonds4

About 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol (PubChem CID 118753143) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol.

Molecular Properties

Compound Name6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
PubChem CID118753143
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
SMILESCc1cc(C(C)(C)CO)c(O)c(C)c1Cc1ncc[nH]1
InChIInChI=1S/C16H22N2O2/c1-10-7-13(16(3,4)9-19)15(20)11(2)12(10)8-14-17-5-6-18-14/h5-7,19-20H,8-9H2,1-4H3,(H,17,18)
InChIKeyGTYONBALMIDUDK-UHFFFAOYSA-N
XLogP2.59
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(1-hydroxy-2-methylpropan-2-yl)-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-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The IUPAC name of 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol (CID 118753143) is 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol.
What is the SMILES notation for 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The canonical SMILES for 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol is Cc1cc(C(C)(C)CO)c(O)c(C)c1Cc1ncc[nH]1.
What is the InChIKey of 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The InChIKey is GTYONBALMIDUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-7-13(16(3,4)9-19)15(20)11(2)12(10)8-14-17-5-6-18-14/h5-7,19-20H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol has a molecular weight of 274.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol is sourced from PubChem (CID 118753143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).