2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate

C13H13FN2O3 — CID 55475099

IUPAC2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCOCCOC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O3/c1-18-6-7-19-13(17)12-8-15-9-16(12)11-4-2-10(14)3-5-11/h2-5,8-9H,6-7H2,1H3
InChIKeyDGPJROKJFFGFCK-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.81
Rot. Bonds5

About 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate

2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 55475099) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID55475099
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCOCCOC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O3/c1-18-6-7-19-13(17)12-8-15-9-16(12)11-4-2-10(14)3-5-11/h2-5,8-9H,6-7H2,1H3
InChIKeyDGPJROKJFFGFCK-UHFFFAOYSA-N
XLogP1.81
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.81
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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Related Compounds

2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367321
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192384
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18195428
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 43026994
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367310
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192374
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate
CID 18192289
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 31710897
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18194149
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 55475099) is 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate is COCCOC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is DGPJROKJFFGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-18-6-7-19-13(17)12-8-15-9-16(12)11-4-2-10(14)3-5-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 264.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 55475099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).