4,5-dihydroimidazole-1-carboxylic acid

C4H6N2O2 — CID 20554061

IUPAC4,5-dihydroimidazole-1-carboxylic acid
SMILESO=C(O)N1C=NCC1
InChIInChI=1S/C4H6N2O2/c7-4(8)6-2-1-5-3-6/h3H,1-2H2,(H,7,8)
InChIKeyRKZIPFOHRUCGGS-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.01
Rot. Bonds

About 4,5-dihydroimidazole-1-carboxylic acid

4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 20554061) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydroimidazole-1-carboxylic acid
PubChem CID20554061
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name4,5-dihydroimidazole-1-carboxylic acid
SMILESO=C(O)N1C=NCC1
InChIInChI=1S/C4H6N2O2/c7-4(8)6-2-1-5-3-6/h3H,1-2H2,(H,7,8)
InChIKeyRKZIPFOHRUCGGS-UHFFFAOYSA-N
XLogP0.01
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of 4,5-dihydroimidazole-1-carboxylic acid (CID 20554061) is 4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for 4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for 4,5-dihydroimidazole-1-carboxylic acid is O=C(O)N1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is RKZIPFOHRUCGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-4(8)6-2-1-5-3-6/h3H,1-2H2,(H,7,8).
What are the key properties of 4,5-dihydroimidazole-1-carboxylic acid?
4,5-dihydroimidazole-1-carboxylic acid has a molecular weight of 114.10 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 20554061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).