2,5-dimethyl-4H-imidazole;ethane

C7H14N2 — CID 123961103

IUPAC2,5-dimethyl-4H-imidazole;ethane
SMILESCC.CC1=NC(C)=NC1
InChIInChI=1S/C5H8N2.C2H6/c1-4-3-6-5(2)7-4;1-2/h3H2,1-2H3;1-2H3
InChIKeyMOQBOZDYZUYUJB-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.91
Rot. Bonds

About 2,5-dimethyl-4H-imidazole;ethane

2,5-dimethyl-4H-imidazole;ethane (PubChem CID 123961103) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,5-dimethyl-4H-imidazole;ethane.

Molecular Properties

Compound Name2,5-dimethyl-4H-imidazole;ethane
PubChem CID123961103
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2,5-dimethyl-4H-imidazole;ethane
SMILESCC.CC1=NC(C)=NC1
InChIInChI=1S/C5H8N2.C2H6/c1-4-3-6-5(2)7-4;1-2/h3H2,1-2H3;1-2H3
InChIKeyMOQBOZDYZUYUJB-UHFFFAOYSA-N
XLogP1.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-4H-imidazole;ethane 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 2,5-dimethyl-4H-imidazole;ethane?
The IUPAC name of 2,5-dimethyl-4H-imidazole;ethane (CID 123961103) is 2,5-dimethyl-4H-imidazole;ethane.
What is the SMILES notation for 2,5-dimethyl-4H-imidazole;ethane?
The canonical SMILES for 2,5-dimethyl-4H-imidazole;ethane is CC.CC1=NC(C)=NC1.
What is the InChIKey of 2,5-dimethyl-4H-imidazole;ethane?
The InChIKey is MOQBOZDYZUYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-4-3-6-5(2)7-4;1-2/h3H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-4H-imidazole;ethane?
2,5-dimethyl-4H-imidazole;ethane has a molecular weight of 126.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4H-imidazole;ethane is sourced from PubChem (CID 123961103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).