ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate

C11H18N2O2 — CID 54507913

IUPACethyl 4-(4,5-dimethylimidazol-1-yl)butanoate
SMILESCCOC(=O)CCCn1cnc(C)c1C
InChIInChI=1S/C11H18N2O2/c1-4-15-11(14)6-5-7-13-8-12-9(2)10(13)3/h8H,4-7H2,1-3H3
InChIKeyWWDHLULGZKMVKN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.84
Rot. Bonds5

About ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate

ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate (PubChem CID 54507913) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4,5-dimethylimidazol-1-yl)butanoate
PubChem CID54507913
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 4-(4,5-dimethylimidazol-1-yl)butanoate
SMILESCCOC(=O)CCCn1cnc(C)c1C
InChIInChI=1S/C11H18N2O2/c1-4-15-11(14)6-5-7-13-8-12-9(2)10(13)3/h8H,4-7H2,1-3H3
InChIKeyWWDHLULGZKMVKN-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate 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 ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate?
The IUPAC name of ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate (CID 54507913) is ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate?
The canonical SMILES for ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate is CCOC(=O)CCCn1cnc(C)c1C.
What is the InChIKey of ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate?
The InChIKey is WWDHLULGZKMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-15-11(14)6-5-7-13-8-12-9(2)10(13)3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate?
ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate has a molecular weight of 210.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,5-dimethylimidazol-1-yl)butanoate is sourced from PubChem (CID 54507913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).