1H-imidazole-2-carboxylic acid;hydrochloride

C4H5ClN2O2 — CID 53230923

IUPAC1H-imidazole-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ncc[nH]1
InChIInChI=1S/C4H4N2O2.ClH/c7-4(8)3-5-1-2-6-3;/h1-2H,(H,5,6)(H,7,8);1H
InChIKeyYATLYOJBJBLUMF-UHFFFAOYSA-N
MW148.55 g/mol
LogP0.53
Rot. Bonds1

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

1H-imidazole-2-carboxylic acid;hydrochloride (PubChem CID 53230923) has the molecular formula C4H5ClN2O2 and a molecular weight of 148.55 g/mol. Its IUPAC name is 1H-imidazole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1H-imidazole-2-carboxylic acid;hydrochloride
PubChem CID53230923
Molecular FormulaC4H5ClN2O2
Molecular Weight148.55 g/mol
Exact Mass148.00
IUPAC Name1H-imidazole-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ncc[nH]1
InChIInChI=1S/C4H4N2O2.ClH/c7-4(8)3-5-1-2-6-3;/h1-2H,(H,5,6)(H,7,8);1H
InChIKeyYATLYOJBJBLUMF-UHFFFAOYSA-N
XLogP0.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.55
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-2-carboxylic acid;hydrochloride?
The IUPAC name of 1H-imidazole-2-carboxylic acid;hydrochloride (CID 53230923) is 1H-imidazole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1H-imidazole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1H-imidazole-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ncc[nH]1.
What is the InChIKey of 1H-imidazole-2-carboxylic acid;hydrochloride?
The InChIKey is YATLYOJBJBLUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.ClH/c7-4(8)3-5-1-2-6-3;/h1-2H,(H,5,6)(H,7,8);1H.
What are the key properties of 1H-imidazole-2-carboxylic acid;hydrochloride?
1H-imidazole-2-carboxylic acid;hydrochloride has a molecular weight of 148.55 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 53230923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).