2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride

C6H9ClN2O3 — CID 155943279

IUPAC2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride
SMILESCOCc1ncc(C(=O)O)[nH]1.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-11-3-5-7-2-4(8-5)6(9)10;/h2H,3H2,1H3,(H,7,8)(H,9,10);1H
InChIKeyUYDLNQYJKYUFBU-UHFFFAOYSA-N
MW192.60 g/mol
LogP0.68
Rot. Bonds3

About 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride

2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride (PubChem CID 155943279) has the molecular formula C6H9ClN2O3 and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride
PubChem CID155943279
Molecular FormulaC6H9ClN2O3
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride
SMILESCOCc1ncc(C(=O)O)[nH]1.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-11-3-5-7-2-4(8-5)6(9)10;/h2H,3H2,1H3,(H,7,8)(H,9,10);1H
InChIKeyUYDLNQYJKYUFBU-UHFFFAOYSA-N
XLogP0.68
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-1H-imidazole-5-carboxylic acid
CID 10511057
2-(sulfanylmethyl)-1H-imidazole-5-carboxylic acid
CID 117187458
2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
CID 117187269
2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid
CID 62251177
2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62331145
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid
CID 117187185
2-(azetidin-3-ylmethyl)-1H-imidazole-5-carboxylic acid
CID 105439326
methyl 2-(propoxymethyl)-1H-imidazole-5-carboxylate
CID 62250995
2-[(4-tert-butylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 82300474
2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazole-5-carboxylic acid
CID 103150548
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
2-methylsulfinyl-1H-imidazole-5-carboxylic acid
CID 68744708

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride (CID 155943279) is 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride is COCc1ncc(C(=O)O)[nH]1.Cl.
What is the InChIKey of 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride?
The InChIKey is UYDLNQYJKYUFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.ClH/c1-11-3-5-7-2-4(8-5)6(9)10;/h2H,3H2,1H3,(H,7,8)(H,9,10);1H.
What are the key properties of 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride?
2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride has a molecular weight of 192.60 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 155943279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).