2,4-ditert-butyl-4H-imidazole

C11H20N2 — CID 59189498

IUPAC2,4-ditert-butyl-4H-imidazole
SMILESCC(C)(C)C1=NC(C(C)(C)C)C=N1
InChIInChI=1S/C11H20N2/c1-10(2,3)8-7-12-9(13-8)11(4,5)6/h7-8H,1-6H3
InChIKeyAPQWQDUVUHRZNF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.93
Rot. Bonds

About 2,4-ditert-butyl-4H-imidazole

2,4-ditert-butyl-4H-imidazole (PubChem CID 59189498) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,4-ditert-butyl-4H-imidazole.

Molecular Properties

Compound Name2,4-ditert-butyl-4H-imidazole
PubChem CID59189498
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2,4-ditert-butyl-4H-imidazole
SMILESCC(C)(C)C1=NC(C(C)(C)C)C=N1
InChIInChI=1S/C11H20N2/c1-10(2,3)8-7-12-9(13-8)11(4,5)6/h7-8H,1-6H3
InChIKeyAPQWQDUVUHRZNF-UHFFFAOYSA-N
XLogP2.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-4H-imidazole?
The IUPAC name of 2,4-ditert-butyl-4H-imidazole (CID 59189498) is 2,4-ditert-butyl-4H-imidazole.
What is the SMILES notation for 2,4-ditert-butyl-4H-imidazole?
The canonical SMILES for 2,4-ditert-butyl-4H-imidazole is CC(C)(C)C1=NC(C(C)(C)C)C=N1.
What is the InChIKey of 2,4-ditert-butyl-4H-imidazole?
The InChIKey is APQWQDUVUHRZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2,3)8-7-12-9(13-8)11(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,4-ditert-butyl-4H-imidazole?
2,4-ditert-butyl-4H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-4H-imidazole is sourced from PubChem (CID 59189498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).