1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride

C7H11ClN2O2 — CID 86276951

IUPAC1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride
SMILESCC(C)n1cnc(C(=O)O)c1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-5(2)9-3-6(7(10)11)8-4-9;/h3-5H,1-2H3,(H,10,11);1H
InChIKeyHGNZNCNADOLOAE-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.58
Rot. Bonds2

About 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride

1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride (PubChem CID 86276951) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride
PubChem CID86276951
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride
SMILESCC(C)n1cnc(C(=O)O)c1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-5(2)9-3-6(7(10)11)8-4-9;/h3-5H,1-2H3,(H,10,11);1H
InChIKeyHGNZNCNADOLOAE-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazole-4-carboxylic acid
CID 14080
2-methyl-1H-imidazole-4-carboxylic acid
CID 73824
1-methyl-1H-imidazole-4-carboxylic acid
CID 541509
Methyl 1-methyl-1H-imidazole-5-carboxylate
CID 2736896
1-methyl-1H-imidazole-5-carboxylic acid
CID 2773507
Imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 12674617
1,3-Dimethylimidazolium-4-carboxylate
CID 479951
2-Amino-1H-imidazole-5-carboxylic acid
CID 541782
2-Isopropyl-1H-imidazole-4-carboxylic acid
CID 3011557
2-tert-butyl-1H-imidazole-4-carboxylic acid
CID 3011559
Methyl 1-methyl-1H-imidazole-4-carboxylate
CID 2773510
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester
CID 21503744

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride (CID 86276951) is 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride is CC(C)n1cnc(C(=O)O)c1.Cl.
What is the InChIKey of 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride?
The InChIKey is HGNZNCNADOLOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-5(2)9-3-6(7(10)11)8-4-9;/h3-5H,1-2H3,(H,10,11);1H.
What are the key properties of 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride?
1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 86276951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).