2-(5-methyl-1H-imidazol-2-yl)acetaldehyde

C6H8N2O — CID 87399347

IUPAC2-(5-methyl-1H-imidazol-2-yl)acetaldehyde
SMILESCc1cnc(CC=O)[nH]1
InChIInChI=1S/C6H8N2O/c1-5-4-7-6(8-5)2-3-9/h3-4H,2H2,1H3,(H,7,8)
InChIKeyFXBWIDAGJCZCNE-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.46
Rot. Bonds2

About 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde

2-(5-methyl-1H-imidazol-2-yl)acetaldehyde (PubChem CID 87399347) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)acetaldehyde
PubChem CID87399347
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)acetaldehyde
SMILESCc1cnc(CC=O)[nH]1
InChIInChI=1S/C6H8N2O/c1-5-4-7-6(8-5)2-3-9/h3-4H,2H2,1H3,(H,7,8)
InChIKeyFXBWIDAGJCZCNE-UHFFFAOYSA-N
XLogP0.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.46
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-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
Imidazole-4-carboxaldehyde
CID 76428
1H-Imidazole-5-acetaldehyde
CID 150841
4-Methyl-2-propyl-1H-imidazole
CID 12199456
5-methyl-1H-imidazol-2-amine
CID 322559
N-(4-Methyl-1H-imidazol-2-yl)-acetamide
CID 566330
2-Methyl-1H-imidazole-4-carboxaldehyde
CID 2795878
2-Butyl-5-formylimidazole
CID 2735671
4-Methyl-1H-imidazole-2-carboxaldehyde
CID 19428628
2-(4-methyl-1H-imidazol-2-yl)acetonitrile
CID 23151625
1-(4-Methyl-1H-imidazol-2-yl)ethanone
CID 565883

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde (CID 87399347) is 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde is Cc1cnc(CC=O)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde?
The InChIKey is FXBWIDAGJCZCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-4-7-6(8-5)2-3-9/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde?
2-(5-methyl-1H-imidazol-2-yl)acetaldehyde has a molecular weight of 124.14 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)acetaldehyde is sourced from PubChem (CID 87399347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).