1,2-dihydroimidazole-3-carbaldehyde

C4H6N2O — CID 19764586

IUPAC1,2-dihydroimidazole-3-carbaldehyde
SMILESO=CN1C=CNC1
InChIInChI=1S/C4H6N2O/c7-4-6-2-1-5-3-6/h1-2,4-5H,3H2
InChIKeyMIHCEURBCCWAMR-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.52
Rot. Bonds1

About 1,2-dihydroimidazole-3-carbaldehyde

1,2-dihydroimidazole-3-carbaldehyde (PubChem CID 19764586) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 1,2-dihydroimidazole-3-carbaldehyde.

Molecular Properties

Compound Name1,2-dihydroimidazole-3-carbaldehyde
PubChem CID19764586
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name1,2-dihydroimidazole-3-carbaldehyde
SMILESO=CN1C=CNC1
InChIInChI=1S/C4H6N2O/c7-4-6-2-1-5-3-6/h1-2,4-5H,3H2
InChIKeyMIHCEURBCCWAMR-UHFFFAOYSA-N
XLogP-0.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyimidazole
CID 22208
1-methyl-2,3-dihydro-1H-imidazol-2-one
CID 566589
4-Amino-1H-imidazol-2(3H)-one
CID 19754593
Formyl-4-imidazolin-2-one trihydrate
CID 129660577
N-cyanoimidazolone
CID 129834300
3-Formyl-2-methyl-1h-imidazolium iodide
CID 172645927
2-Oxo-2,3-dihydro-1H-imidazole-1-carboxamide
CID 13320621
2-oxo-1H-imidazole-3-carbaldehyde
CID 20526803
2-Hydroxy-N-methyl-1H-imidazole-1-carboxamide
CID 21453092
Bis(1,2-dihydroimidazol-3-yl)methanone
CID 21571876
3,3-dimethyl-1H-imidazol-3-ium-2-one
CID 22494132
N-(2H-1,3-oxazol-3-ylmethyl)formamide
CID 23498752

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazole-3-carbaldehyde?
The IUPAC name of 1,2-dihydroimidazole-3-carbaldehyde (CID 19764586) is 1,2-dihydroimidazole-3-carbaldehyde.
What is the SMILES notation for 1,2-dihydroimidazole-3-carbaldehyde?
The canonical SMILES for 1,2-dihydroimidazole-3-carbaldehyde is O=CN1C=CNC1.
What is the InChIKey of 1,2-dihydroimidazole-3-carbaldehyde?
The InChIKey is MIHCEURBCCWAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c7-4-6-2-1-5-3-6/h1-2,4-5H,3H2.
What are the key properties of 1,2-dihydroimidazole-3-carbaldehyde?
1,2-dihydroimidazole-3-carbaldehyde has a molecular weight of 98.10 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazole-3-carbaldehyde is sourced from PubChem (CID 19764586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).