5-hydroxy-1H-imidazole-2-carbaldehyde

C4H4N2O2 — CID 141489386

IUPAC5-hydroxy-1H-imidazole-2-carbaldehyde
SMILESO=Cc1ncc(O)[nH]1
InChIInChI=1S/C4H4N2O2/c7-2-3-5-1-4(8)6-3/h1-2,8H,(H,5,6)
InChIKeyBMFCIIRWXUOFQW-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.07
Rot. Bonds1

About 5-hydroxy-1H-imidazole-2-carbaldehyde

5-hydroxy-1H-imidazole-2-carbaldehyde (PubChem CID 141489386) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 5-hydroxy-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-1H-imidazole-2-carbaldehyde
PubChem CID141489386
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name5-hydroxy-1H-imidazole-2-carbaldehyde
SMILESO=Cc1ncc(O)[nH]1
InChIInChI=1S/C4H4N2O2/c7-2-3-5-1-4(8)6-3/h1-2,8H,(H,5,6)
InChIKeyBMFCIIRWXUOFQW-UHFFFAOYSA-N
XLogP-0.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1H-imidazole-2-carbaldehyde?
The IUPAC name of 5-hydroxy-1H-imidazole-2-carbaldehyde (CID 141489386) is 5-hydroxy-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 5-hydroxy-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 5-hydroxy-1H-imidazole-2-carbaldehyde is O=Cc1ncc(O)[nH]1.
What is the InChIKey of 5-hydroxy-1H-imidazole-2-carbaldehyde?
The InChIKey is BMFCIIRWXUOFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-2-3-5-1-4(8)6-3/h1-2,8H,(H,5,6).
What are the key properties of 5-hydroxy-1H-imidazole-2-carbaldehyde?
5-hydroxy-1H-imidazole-2-carbaldehyde has a molecular weight of 112.09 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 141489386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).