1-tert-butyl-3-ethyl-2H-imidazole

C9H18N2 — CID 68780965

IUPAC1-tert-butyl-3-ethyl-2H-imidazole
SMILESCCN1C=CN(C(C)(C)C)C1
InChIInChI=1S/C9H18N2/c1-5-10-6-7-11(8-10)9(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyZAUZCRSTROXBDR-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.85
Rot. Bonds1

About 1-tert-butyl-3-ethyl-2H-imidazole

1-tert-butyl-3-ethyl-2H-imidazole (PubChem CID 68780965) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2H-imidazole.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2H-imidazole
PubChem CID68780965
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-tert-butyl-3-ethyl-2H-imidazole
SMILESCCN1C=CN(C(C)(C)C)C1
InChIInChI=1S/C9H18N2/c1-5-10-6-7-11(8-10)9(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyZAUZCRSTROXBDR-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2H-imidazole?
The IUPAC name of 1-tert-butyl-3-ethyl-2H-imidazole (CID 68780965) is 1-tert-butyl-3-ethyl-2H-imidazole.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2H-imidazole?
The canonical SMILES for 1-tert-butyl-3-ethyl-2H-imidazole is CCN1C=CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-ethyl-2H-imidazole?
The InChIKey is ZAUZCRSTROXBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-10-6-7-11(8-10)9(2,3)4/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-tert-butyl-3-ethyl-2H-imidazole?
1-tert-butyl-3-ethyl-2H-imidazole has a molecular weight of 154.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2H-imidazole is sourced from PubChem (CID 68780965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).