2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid

C8H6N2O3 — CID 780757

IUPAC2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H6N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
InChIKeyYIGYJEWJHOCKSR-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.55
Rot. Bonds1

About 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid

2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid (PubChem CID 780757) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
PubChem CID780757
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H6N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
InChIKeyYIGYJEWJHOCKSR-UHFFFAOYSA-N
XLogP0.55
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid?
The IUPAC name of 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid (CID 780757) is 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid?
The InChIKey is YIGYJEWJHOCKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13).
What are the key properties of 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid?
2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid is sourced from PubChem (CID 780757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).