5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid

C11H11N3O4 — CID 104607670

IUPAC5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C11H11N3O4/c15-10(9-3-7(5-18-9)11(16)17)13-2-1-8-4-12-6-14-8/h3-6H,1-2H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyPNPKNBVADLGOSN-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.67
Rot. Bonds5

About 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid

5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104607670) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID104607670
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C11H11N3O4/c15-10(9-3-7(5-18-9)11(16)17)13-2-1-8-4-12-6-14-8/h3-6H,1-2H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyPNPKNBVADLGOSN-UHFFFAOYSA-N
XLogP0.67
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 70765860
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 65236987
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid (CID 104607670) is 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is PNPKNBVADLGOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-10(9-3-7(5-18-9)11(16)17)13-2-1-8-4-12-6-14-8/h3-6H,1-2H2,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid?
5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).