2-oxo-1,3-dihydroimidazole-4-carbaldehyde

C4H4N2O2 — CID 2724951

IUPAC2-oxo-1,3-dihydroimidazole-4-carbaldehyde
SMILESO=Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2/c7-2-3-1-5-4(8)6-3/h1-2H,(H2,5,6,8)
InChIKeyXYBQLONABMMZQU-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.48
Rot. Bonds1

About 2-oxo-1,3-dihydroimidazole-4-carbaldehyde

2-oxo-1,3-dihydroimidazole-4-carbaldehyde (PubChem CID 2724951) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 2-oxo-1,3-dihydroimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1,3-dihydroimidazole-4-carbaldehyde
PubChem CID2724951
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name2-oxo-1,3-dihydroimidazole-4-carbaldehyde
SMILESO=Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2/c7-2-3-1-5-4(8)6-3/h1-2H,(H2,5,6,8)
InChIKeyXYBQLONABMMZQU-UHFFFAOYSA-N
XLogP-0.48
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 45087282
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide
CID 135052371
2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
2,2-Dimethyl-1,3-dihydroimidazole-4-carbaldehyde
CID 88970928
2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 88971063
2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 139752034
(4-Formyl-1,2-dihydroimidazol-3-yl)thallium
CID 142119212
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931
1-(2-Aminoethyl)-3-(3-oxoprop-1-en-2-yl)urea
CID 146222638
3-methyl-2-oxo-1H-imidazole-5-carbaldehyde
CID 148647274
(5-Formyl-1,2-dihydroimidazol-3-yl)thallium
CID 149316104
3-Chloro-1,2-dihydroimidazole-5-carbaldehyde
CID 174733220

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydroimidazole-4-carbaldehyde?
The IUPAC name of 2-oxo-1,3-dihydroimidazole-4-carbaldehyde (CID 2724951) is 2-oxo-1,3-dihydroimidazole-4-carbaldehyde.
What is the SMILES notation for 2-oxo-1,3-dihydroimidazole-4-carbaldehyde?
The canonical SMILES for 2-oxo-1,3-dihydroimidazole-4-carbaldehyde is O=Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-oxo-1,3-dihydroimidazole-4-carbaldehyde?
The InChIKey is XYBQLONABMMZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-2-3-1-5-4(8)6-3/h1-2H,(H2,5,6,8).
What are the key properties of 2-oxo-1,3-dihydroimidazole-4-carbaldehyde?
2-oxo-1,3-dihydroimidazole-4-carbaldehyde has a molecular weight of 112.09 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydroimidazole-4-carbaldehyde is sourced from PubChem (CID 2724951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).