4-methoxy-5-methyl-1H-imidazole

C5H8N2O — CID 12531954

IUPAC4-methoxy-5-methyl-1H-imidazole
SMILESCOc1nc[nH]c1C
InChIInChI=1S/C5H8N2O/c1-4-5(8-2)7-3-6-4/h3H,1-2H3,(H,6,7)
InChIKeySUDOAQFYKYGABG-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.73
Rot. Bonds1

About 4-methoxy-5-methyl-1H-imidazole

4-methoxy-5-methyl-1H-imidazole (PubChem CID 12531954) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-methoxy-5-methyl-1H-imidazole
PubChem CID12531954
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name4-methoxy-5-methyl-1H-imidazole
SMILESCOc1nc[nH]c1C
InChIInChI=1S/C5H8N2O/c1-4-5(8-2)7-3-6-4/h3H,1-2H3,(H,6,7)
InChIKeySUDOAQFYKYGABG-UHFFFAOYSA-N
XLogP0.73
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1H-imidazole?
The IUPAC name of 4-methoxy-5-methyl-1H-imidazole (CID 12531954) is 4-methoxy-5-methyl-1H-imidazole.
What is the SMILES notation for 4-methoxy-5-methyl-1H-imidazole?
The canonical SMILES for 4-methoxy-5-methyl-1H-imidazole is COc1nc[nH]c1C.
What is the InChIKey of 4-methoxy-5-methyl-1H-imidazole?
The InChIKey is SUDOAQFYKYGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-5(8-2)7-3-6-4/h3H,1-2H3,(H,6,7).
What are the key properties of 4-methoxy-5-methyl-1H-imidazole?
4-methoxy-5-methyl-1H-imidazole has a molecular weight of 112.13 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1H-imidazole is sourced from PubChem (CID 12531954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).