[1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate

C12H11FN2O2 — CID 174478976

IUPAC[1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate
SMILESO=COC(Cc1cnc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2/c13-10-3-1-9(2-4-10)12(17-8-16)5-11-6-14-7-15-11/h1-4,6-8,12H,5H2,(H,14,15)
InChIKeyAVMIRUWOGLEDBS-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.01
Rot. Bonds5

About [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate

[1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate (PubChem CID 174478976) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate
PubChem CID174478976
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name[1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate
SMILESO=COC(Cc1cnc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2/c13-10-3-1-9(2-4-10)12(17-8-16)5-11-6-14-7-15-11/h1-4,6-8,12H,5H2,(H,14,15)
InChIKeyAVMIRUWOGLEDBS-UHFFFAOYSA-N
XLogP2.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate?
The IUPAC name of [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate (CID 174478976) is [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate.
What is the SMILES notation for [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate?
The canonical SMILES for [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate is O=COC(Cc1cnc[nH]1)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate?
The InChIKey is AVMIRUWOGLEDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-3-1-9(2-4-10)12(17-8-16)5-11-6-14-7-15-11/h1-4,6-8,12H,5H2,(H,14,15).
What are the key properties of [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate?
[1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate has a molecular weight of 234.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-2-(1H-imidazol-5-yl)ethyl] formate is sourced from PubChem (CID 174478976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).