3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid

C10H10N2O3 — CID 82784180

IUPAC3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCCn1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C10H10N2O3/c1-2-12-8-5-6(9(13)14)3-4-7(8)11-10(12)15/h3-5H,2H2,1H3,(H,11,15)(H,13,14)
InChIKeySRKAYPNQWBNHTG-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.05
Rot. Bonds2

About 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid

3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid (PubChem CID 82784180) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid
PubChem CID82784180
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCCn1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C10H10N2O3/c1-2-12-8-5-6(9(13)14)3-4-7(8)11-10(12)15/h3-5H,2H2,1H3,(H,11,15)(H,13,14)
InChIKeySRKAYPNQWBNHTG-UHFFFAOYSA-N
XLogP1.05
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid (CID 82784180) is 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid is CCn1c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is SRKAYPNQWBNHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-12-8-5-6(9(13)14)3-4-7(8)11-10(12)15/h3-5H,2H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid?
3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82784180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).