2,2-diethyl-4,5-dimethylimidazole

C9H16N2 — CID 11804966

IUPAC2,2-diethyl-4,5-dimethylimidazole
SMILESCCC1(CC)N=C(C)C(C)=N1
InChIInChI=1S/C9H16N2/c1-5-9(6-2)10-7(3)8(4)11-9/h5-6H2,1-4H3
InChIKeyPRCKRNYEWXAFOL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.44
Rot. Bonds2

About 2,2-diethyl-4,5-dimethylimidazole

2,2-diethyl-4,5-dimethylimidazole (PubChem CID 11804966) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,2-diethyl-4,5-dimethylimidazole.

Molecular Properties

Compound Name2,2-diethyl-4,5-dimethylimidazole
PubChem CID11804966
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,2-diethyl-4,5-dimethylimidazole
SMILESCCC1(CC)N=C(C)C(C)=N1
InChIInChI=1S/C9H16N2/c1-5-9(6-2)10-7(3)8(4)11-9/h5-6H2,1-4H3
InChIKeyPRCKRNYEWXAFOL-UHFFFAOYSA-N
XLogP2.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-4,5-dimethylimidazole 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 2,2-diethyl-4,5-dimethylimidazole?
The IUPAC name of 2,2-diethyl-4,5-dimethylimidazole (CID 11804966) is 2,2-diethyl-4,5-dimethylimidazole.
What is the SMILES notation for 2,2-diethyl-4,5-dimethylimidazole?
The canonical SMILES for 2,2-diethyl-4,5-dimethylimidazole is CCC1(CC)N=C(C)C(C)=N1.
What is the InChIKey of 2,2-diethyl-4,5-dimethylimidazole?
The InChIKey is PRCKRNYEWXAFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9(6-2)10-7(3)8(4)11-9/h5-6H2,1-4H3.
What are the key properties of 2,2-diethyl-4,5-dimethylimidazole?
2,2-diethyl-4,5-dimethylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4,5-dimethylimidazole is sourced from PubChem (CID 11804966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).