4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol

C13H16N2O3 — CID 154392110

IUPAC4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(C)c(C)[nH]2)cc(OC)c1O
InChIInChI=1S/C13H16N2O3/c1-7-8(2)15-13(14-7)9-5-10(17-3)12(16)11(6-9)18-4/h5-6,16H,1-4H3,(H,14,15)
InChIKeySVNNUCIFQDTAQE-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.42
Rot. Bonds3

About 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol

4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol (PubChem CID 154392110) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
PubChem CID154392110
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(C)c(C)[nH]2)cc(OC)c1O
InChIInChI=1S/C13H16N2O3/c1-7-8(2)15-13(14-7)9-5-10(17-3)12(16)11(6-9)18-4/h5-6,16H,1-4H3,(H,14,15)
InChIKeySVNNUCIFQDTAQE-UHFFFAOYSA-N
XLogP2.42
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol (CID 154392110) is 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol is COc1cc(-c2nc(C)c(C)[nH]2)cc(OC)c1O.
What is the InChIKey of 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol?
The InChIKey is SVNNUCIFQDTAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-8(2)15-13(14-7)9-5-10(17-3)12(16)11(6-9)18-4/h5-6,16H,1-4H3,(H,14,15).
What are the key properties of 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol?
4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol has a molecular weight of 248.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol is sourced from PubChem (CID 154392110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).