4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole

C15H20N2 — CID 82081404

IUPAC4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole
SMILESCc1ccc(C(C)(C)C)cc1-c1cn(C)cn1
InChIInChI=1S/C15H20N2/c1-11-6-7-12(15(2,3)4)8-13(11)14-9-17(5)10-16-14/h6-10H,1-5H3
InChIKeyKBIAOLRZKCKFKI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.69
Rot. Bonds1

About 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole

4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole (PubChem CID 82081404) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole
PubChem CID82081404
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole
SMILESCc1ccc(C(C)(C)C)cc1-c1cn(C)cn1
InChIInChI=1S/C15H20N2/c1-11-6-7-12(15(2,3)4)8-13(11)14-9-17(5)10-16-14/h6-10H,1-5H3
InChIKeyKBIAOLRZKCKFKI-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole 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 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole?
The IUPAC name of 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole (CID 82081404) is 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole is Cc1ccc(C(C)(C)C)cc1-c1cn(C)cn1.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole?
The InChIKey is KBIAOLRZKCKFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-6-7-12(15(2,3)4)8-13(11)14-9-17(5)10-16-14/h6-10H,1-5H3.
What are the key properties of 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole?
4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole has a molecular weight of 228.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole is sourced from PubChem (CID 82081404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).