ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate

C10H18N2O3 — CID 54154131

IUPACethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate
SMILESCCOC(=O)CCOCCC1=NCCN1
InChIInChI=1S/C10H18N2O3/c1-2-15-10(13)4-8-14-7-3-9-11-5-6-12-9/h2-8H2,1H3,(H,11,12)
InChIKeyOJVKUHAWFWRCDO-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.35
Rot. Bonds7

About ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate

ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate (PubChem CID 54154131) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate
PubChem CID54154131
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate
SMILESCCOC(=O)CCOCCC1=NCCN1
InChIInChI=1S/C10H18N2O3/c1-2-15-10(13)4-8-14-7-3-9-11-5-6-12-9/h2-8H2,1H3,(H,11,12)
InChIKeyOJVKUHAWFWRCDO-UHFFFAOYSA-N
XLogP0.35
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate 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 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate?
The IUPAC name of ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate (CID 54154131) is ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate.
What is the SMILES notation for ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate?
The canonical SMILES for ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate is CCOC(=O)CCOCCC1=NCCN1.
What is the InChIKey of ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate?
The InChIKey is OJVKUHAWFWRCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-15-10(13)4-8-14-7-3-9-11-5-6-12-9/h2-8H2,1H3,(H,11,12).
What are the key properties of ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate?
ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate has a molecular weight of 214.26 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate is sourced from PubChem (CID 54154131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).