5-methoxy-1-methylimidazole

C5H8N2O — CID 817150

IUPAC5-methoxy-1-methylimidazole
SMILESCOc1cncn1C
InChIInChI=1S/C5H8N2O/c1-7-4-6-3-5(7)8-2/h3-4H,1-2H3
InChIKeyAKQZOFSZTDDLNF-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.43
Rot. Bonds1

About 5-methoxy-1-methylimidazole

5-methoxy-1-methylimidazole (PubChem CID 817150) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methoxy-1-methylimidazole.

Molecular Properties

Compound Name5-methoxy-1-methylimidazole
PubChem CID817150
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-methoxy-1-methylimidazole
SMILESCOc1cncn1C
InChIInChI=1S/C5H8N2O/c1-7-4-6-3-5(7)8-2/h3-4H,1-2H3
InChIKeyAKQZOFSZTDDLNF-UHFFFAOYSA-N
XLogP0.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylimidazole?
The IUPAC name of 5-methoxy-1-methylimidazole (CID 817150) is 5-methoxy-1-methylimidazole.
What is the SMILES notation for 5-methoxy-1-methylimidazole?
The canonical SMILES for 5-methoxy-1-methylimidazole is COc1cncn1C.
What is the InChIKey of 5-methoxy-1-methylimidazole?
The InChIKey is AKQZOFSZTDDLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-4-6-3-5(7)8-2/h3-4H,1-2H3.
What are the key properties of 5-methoxy-1-methylimidazole?
5-methoxy-1-methylimidazole has a molecular weight of 112.13 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylimidazole is sourced from PubChem (CID 817150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).