1-hydroxy-2,4,5-trimethylimidazole

C6H10N2O — CID 3271952

IUPAC1-hydroxy-2,4,5-trimethylimidazole
SMILESCc1nc(C)n(O)c1C
InChIInChI=1S/C6H10N2O/c1-4-5(2)8(9)6(3)7-4/h9H,1-3H3
InChIKeyZQKKFZUJLJOLII-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.05
Rot. Bonds

About 1-hydroxy-2,4,5-trimethylimidazole

1-hydroxy-2,4,5-trimethylimidazole (PubChem CID 3271952) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-hydroxy-2,4,5-trimethylimidazole.

Molecular Properties

Compound Name1-hydroxy-2,4,5-trimethylimidazole
PubChem CID3271952
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-hydroxy-2,4,5-trimethylimidazole
SMILESCc1nc(C)n(O)c1C
InChIInChI=1S/C6H10N2O/c1-4-5(2)8(9)6(3)7-4/h9H,1-3H3
InChIKeyZQKKFZUJLJOLII-UHFFFAOYSA-N
XLogP1.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,4,5-trimethylimidazole?
The IUPAC name of 1-hydroxy-2,4,5-trimethylimidazole (CID 3271952) is 1-hydroxy-2,4,5-trimethylimidazole.
What is the SMILES notation for 1-hydroxy-2,4,5-trimethylimidazole?
The canonical SMILES for 1-hydroxy-2,4,5-trimethylimidazole is Cc1nc(C)n(O)c1C.
What is the InChIKey of 1-hydroxy-2,4,5-trimethylimidazole?
The InChIKey is ZQKKFZUJLJOLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-5(2)8(9)6(3)7-4/h9H,1-3H3.
What are the key properties of 1-hydroxy-2,4,5-trimethylimidazole?
1-hydroxy-2,4,5-trimethylimidazole has a molecular weight of 126.16 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,4,5-trimethylimidazole is sourced from PubChem (CID 3271952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).