5-methoxy-1H-imidazole

C4H6N2O — CID 13144653

IUPAC5-methoxy-1H-imidazole
SMILESCOc1cnc[nH]1
InChIInChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChIKeyYXSUIVZFLAJASX-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.42
Rot. Bonds1

About 5-methoxy-1H-imidazole

5-methoxy-1H-imidazole (PubChem CID 13144653) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 5-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-methoxy-1H-imidazole
PubChem CID13144653
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name5-methoxy-1H-imidazole
SMILESCOc1cnc[nH]1
InChIInChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChIKeyYXSUIVZFLAJASX-UHFFFAOYSA-N
XLogP0.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-1H-imidazole
CID 15043882
2-(Methoxymethyl)-1H-imidazole
CID 15043884
1H-imidazol-4-ol
CID 18377217
4-Ethoxy-1H-imidazole
CID 49757967
Hydroxy methylimidazole
CID 21622656
2-Imino-5-oxydihydroimidazol
CID 14094186
2-Ethoxy-1H-imidazole
CID 14947257
2-Methoxy-1H-imidazole
CID 19348571
Vinyl oxymethylimidazole
CID 66899006
2-(5-hydroxy-1H-imidazol-2-yl)guanidine
CID 123683628
4-Hydroxyimidazolium chloride
CID 157270254
4-(Trifluoromethoxy)-1H-imidazole
CID 53670597

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-imidazole?
The IUPAC name of 5-methoxy-1H-imidazole (CID 13144653) is 5-methoxy-1H-imidazole.
What is the SMILES notation for 5-methoxy-1H-imidazole?
The canonical SMILES for 5-methoxy-1H-imidazole is COc1cnc[nH]1.
What is the InChIKey of 5-methoxy-1H-imidazole?
The InChIKey is YXSUIVZFLAJASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6).
What are the key properties of 5-methoxy-1H-imidazole?
5-methoxy-1H-imidazole has a molecular weight of 98.10 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-imidazole is sourced from PubChem (CID 13144653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).