2-ethyl-1H-imidazole-5-carboxylic acid

C6H8N2O2 — CID 578816

IUPAC2-ethyl-1H-imidazole-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyNRIUQHNTFFNDMW-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.67
Rot. Bonds2

About 2-ethyl-1H-imidazole-5-carboxylic acid

2-ethyl-1H-imidazole-5-carboxylic acid (PubChem CID 578816) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-ethyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1H-imidazole-5-carboxylic acid
PubChem CID578816
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-ethyl-1H-imidazole-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyNRIUQHNTFFNDMW-UHFFFAOYSA-N
XLogP0.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1H-imidazole-5-carboxylic acid (CID 578816) is 2-ethyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1H-imidazole-5-carboxylic acid is CCc1ncc(C(=O)O)[nH]1.
What is the InChIKey of 2-ethyl-1H-imidazole-5-carboxylic acid?
The InChIKey is NRIUQHNTFFNDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-ethyl-1H-imidazole-5-carboxylic acid?
2-ethyl-1H-imidazole-5-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 578816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).