4,5-dimethyl-1H-imidazole-2-carbaldehyde

C6H8N2O — CID 12657117

IUPAC4,5-dimethyl-1H-imidazole-2-carbaldehyde
SMILESCc1nc(C=O)[nH]c1C
InChIInChI=1S/C6H8N2O/c1-4-5(2)8-6(3-9)7-4/h3H,1-2H3,(H,7,8)
InChIKeyBOXPJRBSLSQXKA-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.84
Rot. Bonds1

About 4,5-dimethyl-1H-imidazole-2-carbaldehyde

4,5-dimethyl-1H-imidazole-2-carbaldehyde (PubChem CID 12657117) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4,5-dimethyl-1H-imidazole-2-carbaldehyde
PubChem CID12657117
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4,5-dimethyl-1H-imidazole-2-carbaldehyde
SMILESCc1nc(C=O)[nH]c1C
InChIInChI=1S/C6H8N2O/c1-4-5(2)8-6(3-9)7-4/h3H,1-2H3,(H,7,8)
InChIKeyBOXPJRBSLSQXKA-UHFFFAOYSA-N
XLogP0.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dimethyl-1H-imidazole-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

Related Compounds

2,4,5-Trimethylimidazole
CID 69976
2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde
CID 2795884
2,4,5-trimethyl-1H-imidazole hydrochloride
CID 67901281
4-bromo-2-methyl-1H-imidazole-5-carbaldehyde
CID 12237495
1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde
CID 18612400
(4,5-dimethyl-1H-imidazol-2-yl)methanol
CID 46784770
1H-Imidazole-2-carboxaldehyde, 5-ethyl-4-methyl-
CID 79002098
N-(4,5-dimethyl-1H-imidazol-2-yl)acetamide
CID 10012109
4,5-Dimethyl-1H-imidazole-2-carboxamide
CID 45084072
Formyl-aminoimidazole carboxamide
CID 88343126
Methyl-triazeno-imidazole-carboxamide
CID 137183576
Trimethylimidazolium methyl sulfate
CID 140866162

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazole-2-carbaldehyde?
The IUPAC name of 4,5-dimethyl-1H-imidazole-2-carbaldehyde (CID 12657117) is 4,5-dimethyl-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 4,5-dimethyl-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 4,5-dimethyl-1H-imidazole-2-carbaldehyde is Cc1nc(C=O)[nH]c1C.
What is the InChIKey of 4,5-dimethyl-1H-imidazole-2-carbaldehyde?
The InChIKey is BOXPJRBSLSQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-5(2)8-6(3-9)7-4/h3H,1-2H3,(H,7,8).
What are the key properties of 4,5-dimethyl-1H-imidazole-2-carbaldehyde?
4,5-dimethyl-1H-imidazole-2-carbaldehyde has a molecular weight of 124.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 12657117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).