(2-ethyl-4-methylimidazol-1-yl) acetate

C8H12N2O2 — CID 91988646

IUPAC(2-ethyl-4-methylimidazol-1-yl) acetate
SMILESCCc1nc(C)cn1OC(C)=O
InChIInChI=1S/C8H12N2O2/c1-4-8-9-6(2)5-10(8)12-7(3)11/h5H,4H2,1-3H3
InChIKeyTUWVUABILBJOKV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.73
Rot. Bonds2

About (2-ethyl-4-methylimidazol-1-yl) acetate

(2-ethyl-4-methylimidazol-1-yl) acetate (PubChem CID 91988646) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2-ethyl-4-methylimidazol-1-yl) acetate.

Molecular Properties

Compound Name(2-ethyl-4-methylimidazol-1-yl) acetate
PubChem CID91988646
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2-ethyl-4-methylimidazol-1-yl) acetate
SMILESCCc1nc(C)cn1OC(C)=O
InChIInChI=1S/C8H12N2O2/c1-4-8-9-6(2)5-10(8)12-7(3)11/h5H,4H2,1-3H3
InChIKeyTUWVUABILBJOKV-UHFFFAOYSA-N
XLogP0.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethyl-4-methylimidazol-1-yl) acetate 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-ethyl-4-methylimidazol-1-yl) acetate?
The IUPAC name of (2-ethyl-4-methylimidazol-1-yl) acetate (CID 91988646) is (2-ethyl-4-methylimidazol-1-yl) acetate.
What is the SMILES notation for (2-ethyl-4-methylimidazol-1-yl) acetate?
The canonical SMILES for (2-ethyl-4-methylimidazol-1-yl) acetate is CCc1nc(C)cn1OC(C)=O.
What is the InChIKey of (2-ethyl-4-methylimidazol-1-yl) acetate?
The InChIKey is TUWVUABILBJOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-8-9-6(2)5-10(8)12-7(3)11/h5H,4H2,1-3H3.
What are the key properties of (2-ethyl-4-methylimidazol-1-yl) acetate?
(2-ethyl-4-methylimidazol-1-yl) acetate has a molecular weight of 168.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methylimidazol-1-yl) acetate is sourced from PubChem (CID 91988646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).