1,4,5-trimethylimidazole-2-carbaldehyde

C7H10N2O — CID 18612400

IUPAC1,4,5-trimethylimidazole-2-carbaldehyde
SMILESCc1nc(C=O)n(C)c1C
InChIInChI=1S/C7H10N2O/c1-5-6(2)9(3)7(4-10)8-5/h4H,1-3H3
InChIKeyRTPPLWUJHUAFLS-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.85
Rot. Bonds1

About 1,4,5-trimethylimidazole-2-carbaldehyde

1,4,5-trimethylimidazole-2-carbaldehyde (PubChem CID 18612400) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1,4,5-trimethylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1,4,5-trimethylimidazole-2-carbaldehyde
PubChem CID18612400
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1,4,5-trimethylimidazole-2-carbaldehyde
SMILESCc1nc(C=O)n(C)c1C
InChIInChI=1S/C7H10N2O/c1-5-6(2)9(3)7(4-10)8-5/h4H,1-3H3
InChIKeyRTPPLWUJHUAFLS-UHFFFAOYSA-N
XLogP0.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,4,5-trimethylimidazole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethylimidazole-2-carbaldehyde?
The IUPAC name of 1,4,5-trimethylimidazole-2-carbaldehyde (CID 18612400) is 1,4,5-trimethylimidazole-2-carbaldehyde.
What is the SMILES notation for 1,4,5-trimethylimidazole-2-carbaldehyde?
The canonical SMILES for 1,4,5-trimethylimidazole-2-carbaldehyde is Cc1nc(C=O)n(C)c1C.
What is the InChIKey of 1,4,5-trimethylimidazole-2-carbaldehyde?
The InChIKey is RTPPLWUJHUAFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-6(2)9(3)7(4-10)8-5/h4H,1-3H3.
What are the key properties of 1,4,5-trimethylimidazole-2-carbaldehyde?
1,4,5-trimethylimidazole-2-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethylimidazole-2-carbaldehyde is sourced from PubChem (CID 18612400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).