2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate

C11H20N2O3 — CID 91471342

IUPAC2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCCOCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C11H20N2O3/c1-3-6-15-7-8-16-11(14)9-13-5-4-12(2)10-13/h4-5H,3,6-10H2,1-2H3
InChIKeyOHDGTSXMMIUDRQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.63
Rot. Bonds7

About 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate

2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate (PubChem CID 91471342) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate.

Molecular Properties

Compound Name2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
PubChem CID91471342
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCCOCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C11H20N2O3/c1-3-6-15-7-8-16-11(14)9-13-5-4-12(2)10-13/h4-5H,3,6-10H2,1-2H3
InChIKeyOHDGTSXMMIUDRQ-UHFFFAOYSA-N
XLogP0.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The IUPAC name of 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate (CID 91471342) is 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate.
What is the SMILES notation for 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The canonical SMILES for 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate is CCCOCCOC(=O)CN1C=CN(C)C1.
What is the InChIKey of 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The InChIKey is OHDGTSXMMIUDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-6-15-7-8-16-11(14)9-13-5-4-12(2)10-13/h4-5H,3,6-10H2,1-2H3.
What are the key properties of 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate has a molecular weight of 228.29 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-(3-methyl-2H-imidazol-1-yl)acetate is sourced from PubChem (CID 91471342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).