4,5-ditert-butyl-2H-imidazole

C11H20N2 — CID 59842778

IUPAC4,5-ditert-butyl-2H-imidazole
SMILESCC(C)(C)C1=NCN=C1C(C)(C)C
InChIInChI=1S/C11H20N2/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H2,1-6H3
InChIKeyIJWZJQHEZWBUNG-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.93
Rot. Bonds

About 4,5-ditert-butyl-2H-imidazole

4,5-ditert-butyl-2H-imidazole (PubChem CID 59842778) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4,5-ditert-butyl-2H-imidazole.

Molecular Properties

Compound Name4,5-ditert-butyl-2H-imidazole
PubChem CID59842778
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4,5-ditert-butyl-2H-imidazole
SMILESCC(C)(C)C1=NCN=C1C(C)(C)C
InChIInChI=1S/C11H20N2/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H2,1-6H3
InChIKeyIJWZJQHEZWBUNG-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 4,5-ditert-butyl-2H-imidazole?
The IUPAC name of 4,5-ditert-butyl-2H-imidazole (CID 59842778) is 4,5-ditert-butyl-2H-imidazole.
What is the SMILES notation for 4,5-ditert-butyl-2H-imidazole?
The canonical SMILES for 4,5-ditert-butyl-2H-imidazole is CC(C)(C)C1=NCN=C1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-2H-imidazole?
The InChIKey is IJWZJQHEZWBUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H2,1-6H3.
What are the key properties of 4,5-ditert-butyl-2H-imidazole?
4,5-ditert-butyl-2H-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 4,5-ditert-butyl-2H-imidazole is sourced from PubChem (CID 59842778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).