5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole

C13H24N2 — CID 150315714

IUPAC5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole
SMILESCCCC(C)(C)c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C13H24N2/c1-7-8-13(5,6)11-14-9-10(15-11)12(2,3)4/h9H,7-8H2,1-6H3,(H,14,15)
InChIKeyGMOIMNLLAQUCNI-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.78
Rot. Bonds3

About 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole

5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole (PubChem CID 150315714) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole
PubChem CID150315714
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole
SMILESCCCC(C)(C)c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C13H24N2/c1-7-8-13(5,6)11-14-9-10(15-11)12(2,3)4/h9H,7-8H2,1-6H3,(H,14,15)
InChIKeyGMOIMNLLAQUCNI-UHFFFAOYSA-N
XLogP3.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole 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 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole (CID 150315714) is 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole is CCCC(C)(C)c1ncc(C(C)(C)C)[nH]1.
What is the InChIKey of 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole?
The InChIKey is GMOIMNLLAQUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-8-13(5,6)11-14-9-10(15-11)12(2,3)4/h9H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole?
5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole is sourced from PubChem (CID 150315714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).