methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate

C12H11FN2O2 — CID 116880248

IUPACmethyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-17-12(16)6-11-14-7-10(15-11)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeySPLTYAYLBUTEOA-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.93
Rot. Bonds3

About methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate

methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate (PubChem CID 116880248) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
PubChem CID116880248
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Namemethyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-17-12(16)6-11-14-7-10(15-11)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeySPLTYAYLBUTEOA-UHFFFAOYSA-N
XLogP1.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate
CID 86637794
methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate
CID 71051747
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882765
cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 67214697
methyl 2-(4-fluorophenoxy)acetate
CID 580550
N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide
CID 134131481
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate (CID 116880248) is methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate is COC(=O)Cc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate?
The InChIKey is SPLTYAYLBUTEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-17-12(16)6-11-14-7-10(15-11)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate?
methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate has a molecular weight of 234.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate is sourced from PubChem (CID 116880248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).