1-hydroxy-4-methoxy-2-methylimidazole

C5H8N2O2 — CID 91365586

IUPAC1-hydroxy-4-methoxy-2-methylimidazole
SMILESCOc1cn(O)c(C)n1
InChIInChI=1S/C5H8N2O2/c1-4-6-5(9-2)3-7(4)8/h3,8H,1-2H3
InChIKeySBEZSRMLPXXMHD-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.44
Rot. Bonds1

About 1-hydroxy-4-methoxy-2-methylimidazole

1-hydroxy-4-methoxy-2-methylimidazole (PubChem CID 91365586) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-hydroxy-4-methoxy-2-methylimidazole.

Molecular Properties

Compound Name1-hydroxy-4-methoxy-2-methylimidazole
PubChem CID91365586
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-hydroxy-4-methoxy-2-methylimidazole
SMILESCOc1cn(O)c(C)n1
InChIInChI=1S/C5H8N2O2/c1-4-6-5(9-2)3-7(4)8/h3,8H,1-2H3
InChIKeySBEZSRMLPXXMHD-UHFFFAOYSA-N
XLogP0.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(ethenyl)-4-methoxyimidazole
CID 172614778
(4-methoxy-1-methylimidazol-2-yl)methanol
CID 57005292
1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole
CID 86155423
5-bromo-2-methoxyimidazo[1,2-a]pyridine
CID 82391440
2-fluoro-6-methoxy-3-methylpyridine
CID 90735299
2-methoxy-6-prop-1-en-2-ylimidazo[1,2-a]pyridine
CID 175691175
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
2-methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine
CID 13114264
6-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 119081586
4,6-dimethoxy-2-(2-methylimidazol-1-yl)pyrimidine
CID 115355792
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118835181
5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 105458405

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methoxy-2-methylimidazole?
The IUPAC name of 1-hydroxy-4-methoxy-2-methylimidazole (CID 91365586) is 1-hydroxy-4-methoxy-2-methylimidazole.
What is the SMILES notation for 1-hydroxy-4-methoxy-2-methylimidazole?
The canonical SMILES for 1-hydroxy-4-methoxy-2-methylimidazole is COc1cn(O)c(C)n1.
What is the InChIKey of 1-hydroxy-4-methoxy-2-methylimidazole?
The InChIKey is SBEZSRMLPXXMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4-6-5(9-2)3-7(4)8/h3,8H,1-2H3.
What are the key properties of 1-hydroxy-4-methoxy-2-methylimidazole?
1-hydroxy-4-methoxy-2-methylimidazole has a molecular weight of 128.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methoxy-2-methylimidazole is sourced from PubChem (CID 91365586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).