1,3-ditert-butyl-2H-imidazole

C11H22N2 — CID 10110535

IUPAC1,3-ditert-butyl-2H-imidazole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)C1
InChIInChI=1S/C11H22N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,9H2,1-6H3
InChIKeyWLZCDCXFXATHNC-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.63
Rot. Bonds

About 1,3-ditert-butyl-2H-imidazole

1,3-ditert-butyl-2H-imidazole (PubChem CID 10110535) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,3-ditert-butyl-2H-imidazole.

Molecular Properties

Compound Name1,3-ditert-butyl-2H-imidazole
PubChem CID10110535
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1,3-ditert-butyl-2H-imidazole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)C1
InChIInChI=1S/C11H22N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,9H2,1-6H3
InChIKeyWLZCDCXFXATHNC-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2H-imidazole?
The IUPAC name of 1,3-ditert-butyl-2H-imidazole (CID 10110535) is 1,3-ditert-butyl-2H-imidazole.
What is the SMILES notation for 1,3-ditert-butyl-2H-imidazole?
The canonical SMILES for 1,3-ditert-butyl-2H-imidazole is CC(C)(C)N1C=CN(C(C)(C)C)C1.
What is the InChIKey of 1,3-ditert-butyl-2H-imidazole?
The InChIKey is WLZCDCXFXATHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,9H2,1-6H3.
What are the key properties of 1,3-ditert-butyl-2H-imidazole?
1,3-ditert-butyl-2H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2H-imidazole is sourced from PubChem (CID 10110535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).