2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde

C14H16N2O — CID 82288230

IUPAC2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2ncc(C=O)[nH]2)cc1
InChIInChI=1S/C14H16N2O/c1-14(2,3)11-6-4-10(5-7-11)13-15-8-12(9-17)16-13/h4-9H,1-3H3,(H,15,16)
InChIKeyQKAVMYKNSOAULN-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.19
Rot. Bonds2

About 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde

2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde (PubChem CID 82288230) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde
PubChem CID82288230
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2ncc(C=O)[nH]2)cc1
InChIInChI=1S/C14H16N2O/c1-14(2,3)11-6-4-10(5-7-11)13-15-8-12(9-17)16-13/h4-9H,1-3H3,(H,15,16)
InChIKeyQKAVMYKNSOAULN-UHFFFAOYSA-N
XLogP3.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-1H-imidazole-5-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 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde (CID 82288230) is 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde is CC(C)(C)c1ccc(-c2ncc(C=O)[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde?
The InChIKey is QKAVMYKNSOAULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(2,3)11-6-4-10(5-7-11)13-15-8-12(9-17)16-13/h4-9H,1-3H3,(H,15,16).
What are the key properties of 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde?
2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde has a molecular weight of 228.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 82288230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).