4,5-dihydroimidazol-3-ium-1-carboxylic acid

C4H7N2O2+ — CID 54272276

IUPAC4,5-dihydroimidazol-3-ium-1-carboxylic acid
SMILESO=C(O)N1C=[NH+]CC1
InChIInChI=1S/C4H6N2O2/c7-4(8)6-2-1-5-3-6/h3H,1-2H2,(H,7,8)/p+1
InChIKeyRKZIPFOHRUCGGS-UHFFFAOYSA-O
MW115.11 g/mol
LogP-1.91
Rot. Bonds

About 4,5-dihydroimidazol-3-ium-1-carboxylic acid

4,5-dihydroimidazol-3-ium-1-carboxylic acid (PubChem CID 54272276) has the molecular formula C4H7N2O2+ and a molecular weight of 115.11 g/mol. Its IUPAC name is 4,5-dihydroimidazol-3-ium-1-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydroimidazol-3-ium-1-carboxylic acid
PubChem CID54272276
Molecular FormulaC4H7N2O2+
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name4,5-dihydroimidazol-3-ium-1-carboxylic acid
SMILESO=C(O)N1C=[NH+]CC1
InChIInChI=1S/C4H6N2O2/c7-4(8)6-2-1-5-3-6/h3H,1-2H2,(H,7,8)/p+1
InChIKeyRKZIPFOHRUCGGS-UHFFFAOYSA-O
XLogP-1.91
TPSA54.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4,5-dihydroimidazol-3-ium-1-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

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-3-ium-1-carboxylic acid?
The IUPAC name of 4,5-dihydroimidazol-3-ium-1-carboxylic acid (CID 54272276) is 4,5-dihydroimidazol-3-ium-1-carboxylic acid.
What is the SMILES notation for 4,5-dihydroimidazol-3-ium-1-carboxylic acid?
The canonical SMILES for 4,5-dihydroimidazol-3-ium-1-carboxylic acid is O=C(O)N1C=[NH+]CC1.
What is the InChIKey of 4,5-dihydroimidazol-3-ium-1-carboxylic acid?
The InChIKey is RKZIPFOHRUCGGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2O2/c7-4(8)6-2-1-5-3-6/h3H,1-2H2,(H,7,8)/p+1.
What are the key properties of 4,5-dihydroimidazol-3-ium-1-carboxylic acid?
4,5-dihydroimidazol-3-ium-1-carboxylic acid has a molecular weight of 115.11 g/mol, XLogP of -1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-3-ium-1-carboxylic acid is sourced from PubChem (CID 54272276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).