4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride

C6H11ClN2O — CID 12885467

IUPAC4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride
SMILESCOCc1nc[nH]c1C.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-5-6(3-9-2)8-4-7-5;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyVPEHTSWTVNLEIP-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.29
Rot. Bonds2

About 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride

4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride (PubChem CID 12885467) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride
PubChem CID12885467
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride
SMILESCOCc1nc[nH]c1C.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-5-6(3-9-2)8-4-7-5;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyVPEHTSWTVNLEIP-UHFFFAOYSA-N
XLogP1.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride (CID 12885467) is 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride is COCc1nc[nH]c1C.Cl.
What is the InChIKey of 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride?
The InChIKey is VPEHTSWTVNLEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c1-5-6(3-9-2)8-4-7-5;/h4H,3H2,1-2H3,(H,7,8);1H.
What are the key properties of 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride?
4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 12885467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).