6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid

C9H8N2O3 — CID 130864914

IUPAC6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc[nH]c2cc1CO
InChIInChI=1S/C9H8N2O3/c12-3-5-1-7-8(11-4-10-7)2-6(5)9(13)14/h1-2,4,12H,3H2,(H,10,11)(H,13,14)
InChIKeyLXQIBLMGRCAZLL-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.75
Rot. Bonds2

About 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid

6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid (PubChem CID 130864914) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
PubChem CID130864914
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc[nH]c2cc1CO
InChIInChI=1S/C9H8N2O3/c12-3-5-1-7-8(11-4-10-7)2-6(5)9(13)14/h1-2,4,12H,3H2,(H,10,11)(H,13,14)
InChIKeyLXQIBLMGRCAZLL-UHFFFAOYSA-N
XLogP0.75
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1H-benzimidazole-5-carboxylic acid
CID 57429095
6-(hydroxymethyl)-1H-benzimidazol-5-ol
CID 130998540
(6-chloro-3H-benzimidazol-5-yl)methanol
CID 130882807
ethyl 6-(bromomethyl)-1H-benzimidazole-5-carboxylate
CID 131327672
6-(carbamothioylamino)-3H-benzimidazole-5-carboxylic acid
CID 169357904
2-(6-nitro-1H-benzimidazol-5-yl)acetic acid
CID 137219844
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
6-[(4-methylphenyl)carbamoyl]-3H-benzimidazole-5-carboxylic acid
CID 123402991
4,5-dihydroxy-2-(hydroxymethyl)benzoic acid
CID 115016614
(2S)-2-amino-3-(6-hydroxy-3H-benzimidazol-5-yl)propanoic acid;dihydrobromide
CID 22807429
5-ethyl-8-oxo-1H-imidazo[4,5-g]quinoline-7-carboxylic acid
CID 14494846
6-hydroxy-3H-benzimidazole-5-carboxamide
CID 130781668

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid (CID 130864914) is 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid is O=C(O)c1cc2nc[nH]c2cc1CO.
What is the InChIKey of 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
The InChIKey is LXQIBLMGRCAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-3-5-1-7-8(11-4-10-7)2-6(5)9(13)14/h1-2,4,12H,3H2,(H,10,11)(H,13,14).
What are the key properties of 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 130864914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).