2,4,5-tritert-butyl-1H-imidazole

C15H28N2 — CID 58088902

IUPAC2,4,5-tritert-butyl-1H-imidazole
SMILESCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)[nH]1
InChIInChI=1S/C15H28N2/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h1-9H3,(H,16,17)
InChIKeyAKRAPVPNWWFNCV-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.30
Rot. Bonds

About 2,4,5-tritert-butyl-1H-imidazole

2,4,5-tritert-butyl-1H-imidazole (PubChem CID 58088902) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,4,5-tritert-butyl-1H-imidazole.

Molecular Properties

Compound Name2,4,5-tritert-butyl-1H-imidazole
PubChem CID58088902
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2,4,5-tritert-butyl-1H-imidazole
SMILESCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)[nH]1
InChIInChI=1S/C15H28N2/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h1-9H3,(H,16,17)
InChIKeyAKRAPVPNWWFNCV-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tritert-butyl-1H-imidazole?
The IUPAC name of 2,4,5-tritert-butyl-1H-imidazole (CID 58088902) is 2,4,5-tritert-butyl-1H-imidazole.
What is the SMILES notation for 2,4,5-tritert-butyl-1H-imidazole?
The canonical SMILES for 2,4,5-tritert-butyl-1H-imidazole is CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)[nH]1.
What is the InChIKey of 2,4,5-tritert-butyl-1H-imidazole?
The InChIKey is AKRAPVPNWWFNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h1-9H3,(H,16,17).
What are the key properties of 2,4,5-tritert-butyl-1H-imidazole?
2,4,5-tritert-butyl-1H-imidazole has a molecular weight of 236.40 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tritert-butyl-1H-imidazole is sourced from PubChem (CID 58088902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).