4-tert-butyl-1-ethyl-4,5-dihydroimidazole

C9H18N2 — CID 89231845

IUPAC4-tert-butyl-1-ethyl-4,5-dihydroimidazole
SMILESCCN1C=NC(C(C)(C)C)C1
InChIInChI=1S/C9H18N2/c1-5-11-6-8(10-7-11)9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyGGQVTHPUIJUABO-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds1

About 4-tert-butyl-1-ethyl-4,5-dihydroimidazole

4-tert-butyl-1-ethyl-4,5-dihydroimidazole (PubChem CID 89231845) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name4-tert-butyl-1-ethyl-4,5-dihydroimidazole
PubChem CID89231845
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-tert-butyl-1-ethyl-4,5-dihydroimidazole
SMILESCCN1C=NC(C(C)(C)C)C1
InChIInChI=1S/C9H18N2/c1-5-11-6-8(10-7-11)9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyGGQVTHPUIJUABO-UHFFFAOYSA-N
XLogP1.76
TPSA15.60 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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-1-ethyl-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethyl-4,5-dihydroimidazole?
The IUPAC name of 4-tert-butyl-1-ethyl-4,5-dihydroimidazole (CID 89231845) is 4-tert-butyl-1-ethyl-4,5-dihydroimidazole.
What is the SMILES notation for 4-tert-butyl-1-ethyl-4,5-dihydroimidazole?
The canonical SMILES for 4-tert-butyl-1-ethyl-4,5-dihydroimidazole is CCN1C=NC(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-1-ethyl-4,5-dihydroimidazole?
The InChIKey is GGQVTHPUIJUABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-11-6-8(10-7-11)9(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-1-ethyl-4,5-dihydroimidazole?
4-tert-butyl-1-ethyl-4,5-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyl-4,5-dihydroimidazole is sourced from PubChem (CID 89231845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).