2,4-dimethylimidazole-1-carbaldehyde

C6H8N2O — CID 54491459

IUPAC2,4-dimethylimidazole-1-carbaldehyde
SMILESCc1cn(C=O)c(C)n1
InChIInChI=1S/C6H8N2O/c1-5-3-8(4-9)6(2)7-5/h3-4H,1-2H3
InChIKeyMQYFZPNANFANKD-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.54
Rot. Bonds1

About 2,4-dimethylimidazole-1-carbaldehyde

2,4-dimethylimidazole-1-carbaldehyde (PubChem CID 54491459) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,4-dimethylimidazole-1-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethylimidazole-1-carbaldehyde
PubChem CID54491459
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2,4-dimethylimidazole-1-carbaldehyde
SMILESCc1cn(C=O)c(C)n1
InChIInChI=1S/C6H8N2O/c1-5-3-8(4-9)6(2)7-5/h3-4H,1-2H3
InChIKeyMQYFZPNANFANKD-UHFFFAOYSA-N
XLogP0.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
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 2,4-dimethylimidazole-1-carbaldehyde?
The IUPAC name of 2,4-dimethylimidazole-1-carbaldehyde (CID 54491459) is 2,4-dimethylimidazole-1-carbaldehyde.
What is the SMILES notation for 2,4-dimethylimidazole-1-carbaldehyde?
The canonical SMILES for 2,4-dimethylimidazole-1-carbaldehyde is Cc1cn(C=O)c(C)n1.
What is the InChIKey of 2,4-dimethylimidazole-1-carbaldehyde?
The InChIKey is MQYFZPNANFANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-3-8(4-9)6(2)7-5/h3-4H,1-2H3.
What are the key properties of 2,4-dimethylimidazole-1-carbaldehyde?
2,4-dimethylimidazole-1-carbaldehyde has a molecular weight of 124.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylimidazole-1-carbaldehyde is sourced from PubChem (CID 54491459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).