2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid

C9H8N2O3 — CID 768518

IUPAC2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c12-4-8-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,12H,4H2,(H,10,11)(H,13,14)
InChIKeyLIBZUTVUUNNXNP-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.75
Rot. Bonds2

About 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid

2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 768518) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID768518
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c12-4-8-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,12H,4H2,(H,10,11)(H,13,14)
InChIKeyLIBZUTVUUNNXNP-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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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid (CID 768518) is 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(CO)[nH]c2c1.
What is the InChIKey of 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is LIBZUTVUUNNXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-4-8-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,12H,4H2,(H,10,11)(H,13,14).
What are the key properties of 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid?
2-(hydroxymethyl)-3H-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 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 768518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).