ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate

C13H22N2O2 — CID 166304788

IUPACethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(CC(CC)CC)cn1
InChIInChI=1S/C13H22N2O2/c1-4-11(5-2)8-15-9-12(14-10-15)7-13(16)17-6-3/h9-11H,4-8H2,1-3H3
InChIKeyPGOSWELYTYJPII-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.42
Rot. Bonds7

About ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate

ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate (PubChem CID 166304788) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate
PubChem CID166304788
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(CC(CC)CC)cn1
InChIInChI=1S/C13H22N2O2/c1-4-11(5-2)8-15-9-12(14-10-15)7-13(16)17-6-3/h9-11H,4-8H2,1-3H3
InChIKeyPGOSWELYTYJPII-UHFFFAOYSA-N
XLogP2.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(2-ethylbutyl)imidazol-4-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

Related Compounds

1-Methylimidazoleacetic acid
CID 75810
1-Methylimidazole-5-acetic acid
CID 6451814
Pilocarbine
CID 44309527
1-methyl-1H-imidazol-4-acetic acid monohydrochloride
CID 16219703
1-Methyl-4-imidazoleacetate
CID 21283465
Aminozooanemonin
CID 10080783
ethyl 2-(1H-imidazol-4-yl)acetate
CID 13190584
Ethyl alpha,alpha-dimethyl-1H-imidazole-5-acetate
CID 66889181
2-(1-methyl-1H-imidazol-5-yl)acetic acid hydrochloride
CID 69892609
4-Imidazolacetic acid, butyl ester
CID 557123
2-(1-cyclopropyl-1H-imidazol-4-yl)acetic acid hydrochloride
CID 165803280
Methyl 2-[3-(fluoromethyl)imidazol-4-yl]acetate
CID 141934909

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate (CID 166304788) is ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate is CCOC(=O)Cc1cn(CC(CC)CC)cn1.
What is the InChIKey of ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate?
The InChIKey is PGOSWELYTYJPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-11(5-2)8-15-9-12(14-10-15)7-13(16)17-6-3/h9-11H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate?
ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate has a molecular weight of 238.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-ethylbutyl)imidazol-4-yl]acetate is sourced from PubChem (CID 166304788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).