5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride

C5H7ClN2O2 — CID 122236475

IUPAC5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride
SMILESCc1cnc(C(=O)O)[nH]1.Cl
InChIInChI=1S/C5H6N2O2.ClH/c1-3-2-6-4(7-3)5(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H
InChIKeyHXZOPHGQMOIKIA-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.84
Rot. Bonds1

About 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride

5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride (PubChem CID 122236475) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride
PubChem CID122236475
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride
SMILESCc1cnc(C(=O)O)[nH]1.Cl
InChIInChI=1S/C5H6N2O2.ClH/c1-3-2-6-4(7-3)5(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H
InChIKeyHXZOPHGQMOIKIA-UHFFFAOYSA-N
XLogP0.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1H-imidazole-4-carboxylic acid
CID 73824
1-But-3-enyl-5-methyl-imidazole-2-carboxylic acid
CID 162421327
2-Amino-1H-imidazole-5-carboxylic acid
CID 541782
1-But-3-enyl-4-methyl-imidazole-2-carboxylic acid
CID 162421326
4-Methyl-1H-imidazole-2-carboxaldehyde
CID 19428628
ethyl 4-(trifluoromethyl)-1H-imidazole-2-carboxylate
CID 67232218
1-(4-Methyl-1H-imidazol-2-yl)ethanone
CID 565883
2-Isopropyl-1H-imidazole-4-carboxylic acid
CID 3011557
2-tert-butyl-1H-imidazole-4-carboxylic acid
CID 3011559
2-Ethyl-1H-imidazole-4-carboxylic acid
CID 578816
2-(5-methyl-1H-imidazol-1-yl)acetic acid
CID 45156967
(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride (CID 122236475) is 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride is Cc1cnc(C(=O)O)[nH]1.Cl.
What is the InChIKey of 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride?
The InChIKey is HXZOPHGQMOIKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.ClH/c1-3-2-6-4(7-3)5(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H.
What are the key properties of 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride?
5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 122236475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).