2-(methoxymethyl)-1H-imidazole

C5H8N2O — CID 15043884

IUPAC2-(methoxymethyl)-1H-imidazole
SMILESCOCc1ncc[nH]1
InChIInChI=1S/C5H8N2O/c1-8-4-5-6-2-3-7-5/h2-3H,4H2,1H3,(H,6,7)
InChIKeyWBQTVZALNOJHNB-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.56
Rot. Bonds2

About 2-(methoxymethyl)-1H-imidazole

2-(methoxymethyl)-1H-imidazole (PubChem CID 15043884) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(methoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1H-imidazole
PubChem CID15043884
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-(methoxymethyl)-1H-imidazole
SMILESCOCc1ncc[nH]1
InChIInChI=1S/C5H8N2O/c1-8-4-5-6-2-3-7-5/h2-3H,4H2,1H3,(H,6,7)
InChIKeyWBQTVZALNOJHNB-UHFFFAOYSA-N
XLogP0.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1H-imidazole?
The IUPAC name of 2-(methoxymethyl)-1H-imidazole (CID 15043884) is 2-(methoxymethyl)-1H-imidazole.
What is the SMILES notation for 2-(methoxymethyl)-1H-imidazole?
The canonical SMILES for 2-(methoxymethyl)-1H-imidazole is COCc1ncc[nH]1.
What is the InChIKey of 2-(methoxymethyl)-1H-imidazole?
The InChIKey is WBQTVZALNOJHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-8-4-5-6-2-3-7-5/h2-3H,4H2,1H3,(H,6,7).
What are the key properties of 2-(methoxymethyl)-1H-imidazole?
2-(methoxymethyl)-1H-imidazole has a molecular weight of 112.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1H-imidazole is sourced from PubChem (CID 15043884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).