4-tert-butyl-2-methyl-2H-imidazole

C8H14N2 — CID 58186444

IUPAC4-tert-butyl-2-methyl-2H-imidazole
SMILESCC1N=CC(C(C)(C)C)=N1
InChIInChI=1S/C8H14N2/c1-6-9-5-7(10-6)8(2,3)4/h5-6H,1-4H3
InChIKeyVARUBCONOICMEY-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.90
Rot. Bonds

About 4-tert-butyl-2-methyl-2H-imidazole

4-tert-butyl-2-methyl-2H-imidazole (PubChem CID 58186444) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-2H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-2H-imidazole
PubChem CID58186444
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-tert-butyl-2-methyl-2H-imidazole
SMILESCC1N=CC(C(C)(C)C)=N1
InChIInChI=1S/C8H14N2/c1-6-9-5-7(10-6)8(2,3)4/h5-6H,1-4H3
InChIKeyVARUBCONOICMEY-UHFFFAOYSA-N
XLogP1.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-methyl-2H-imidazole 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

CID 10679367
CID 10679367
CID 5325305
CID 5325305
CID 5325306
CID 5325306
CID 5325307
CID 5325307
CID 10749593
CID 10749593
CID 18736802
CID 18736802
CID 22975259
CID 22975259
CID 23573159
CID 23573159
CID 58738294
CID 58738294
CID 58816339
CID 58816339
CID 68046274
CID 68046274
CID 89177822
CID 89177822

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-2H-imidazole?
The IUPAC name of 4-tert-butyl-2-methyl-2H-imidazole (CID 58186444) is 4-tert-butyl-2-methyl-2H-imidazole.
What is the SMILES notation for 4-tert-butyl-2-methyl-2H-imidazole?
The canonical SMILES for 4-tert-butyl-2-methyl-2H-imidazole is CC1N=CC(C(C)(C)C)=N1.
What is the InChIKey of 4-tert-butyl-2-methyl-2H-imidazole?
The InChIKey is VARUBCONOICMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-9-5-7(10-6)8(2,3)4/h5-6H,1-4H3.
What are the key properties of 4-tert-butyl-2-methyl-2H-imidazole?
4-tert-butyl-2-methyl-2H-imidazole has a molecular weight of 138.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-2H-imidazole is sourced from PubChem (CID 58186444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).