1,4-ditert-butylimidazole

C11H20N2 — CID 10261718

IUPAC1,4-ditert-butylimidazole
SMILESCC(C)(C)c1cn(C(C)(C)C)cn1
InChIInChI=1S/C11H20N2/c1-10(2,3)9-7-13(8-12-9)11(4,5)6/h7-8H,1-6H3
InChIKeyGUHVXILIPVKKOT-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.94
Rot. Bonds

About 1,4-ditert-butylimidazole

1,4-ditert-butylimidazole (PubChem CID 10261718) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,4-ditert-butylimidazole.

Molecular Properties

Compound Name1,4-ditert-butylimidazole
PubChem CID10261718
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,4-ditert-butylimidazole
SMILESCC(C)(C)c1cn(C(C)(C)C)cn1
InChIInChI=1S/C11H20N2/c1-10(2,3)9-7-13(8-12-9)11(4,5)6/h7-8H,1-6H3
InChIKeyGUHVXILIPVKKOT-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylimidazole?
The IUPAC name of 1,4-ditert-butylimidazole (CID 10261718) is 1,4-ditert-butylimidazole.
What is the SMILES notation for 1,4-ditert-butylimidazole?
The canonical SMILES for 1,4-ditert-butylimidazole is CC(C)(C)c1cn(C(C)(C)C)cn1.
What is the InChIKey of 1,4-ditert-butylimidazole?
The InChIKey is GUHVXILIPVKKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2,3)9-7-13(8-12-9)11(4,5)6/h7-8H,1-6H3.
What are the key properties of 1,4-ditert-butylimidazole?
1,4-ditert-butylimidazole has a molecular weight of 180.29 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylimidazole is sourced from PubChem (CID 10261718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).