2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride

C10H11ClN2O3 — CID 126810084

IUPAC2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
SMILESCl.Cn1c(CO)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C10H10N2O3.ClH/c1-12-8-3-2-6(10(14)15)4-7(8)11-9(12)5-13;/h2-4,13H,5H2,1H3,(H,14,15);1H
InChIKeyVGMGFDBLTSGVQC-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.19
Rot. Bonds2

About 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride

2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride (PubChem CID 126810084) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
PubChem CID126810084
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
SMILESCl.Cn1c(CO)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C10H10N2O3.ClH/c1-12-8-3-2-6(10(14)15)4-7(8)11-9(12)5-13;/h2-4,13H,5H2,1H3,(H,14,15);1H
InChIKeyVGMGFDBLTSGVQC-UHFFFAOYSA-N
XLogP1.19
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxylic acid
CID 46308423
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63891340
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892629
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
[4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
CID 166259592
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
2-[2-[4-(N'-hydroxycarbamimidoyl)phenyl]ethyl]-1-methylbenzimidazole-5-carboxylic acid
CID 173248718
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
CID 138016864
N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide
CID 168650786
2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
CID 83967736
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride (CID 126810084) is 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride is Cl.Cn1c(CO)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride?
The InChIKey is VGMGFDBLTSGVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.ClH/c1-12-8-3-2-6(10(14)15)4-7(8)11-9(12)5-13;/h2-4,13H,5H2,1H3,(H,14,15);1H.
What are the key properties of 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride?
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride has a molecular weight of 242.66 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 126810084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).