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

C18H15FN2O3 — CID 55367321

IUPAC2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESO=C(OCCOc1ccccc1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c19-14-6-8-15(9-7-14)21-13-20-12-17(21)18(22)24-11-10-23-16-4-2-1-3-5-16/h1-9,12-13H,10-11H2
InChIKeyRFVAAYAZWROYNF-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.25
Rot. Bonds6

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

2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 55367321) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID55367321
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESO=C(OCCOc1ccccc1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c19-14-6-8-15(9-7-14)21-13-20-12-17(21)18(22)24-11-10-23-16-4-2-1-3-5-16/h1-9,12-13H,10-11H2
InChIKeyRFVAAYAZWROYNF-UHFFFAOYSA-N
XLogP3.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.25
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-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate
CID 18192289
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192374
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 112829933
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192384
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367310
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18195428
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 31710897
[(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate
CID 75363236
(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
CID 26965172
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 55367321) is 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate is O=C(OCCOc1ccccc1)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is RFVAAYAZWROYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-14-6-8-15(9-7-14)21-13-20-12-17(21)18(22)24-11-10-23-16-4-2-1-3-5-16/h1-9,12-13H,10-11H2.
What are the key properties of 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 55367321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).