[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

C17H13FN2O3S — CID 18195428

IUPAC[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2cncn2-c2ccc(F)cc2)s1
InChIInChI=1S/C17H13FN2O3S/c1-11-2-7-16(24-11)15(21)9-23-17(22)14-8-19-10-20(14)13-5-3-12(18)4-6-13/h2-8,10H,9H2,1H3
InChIKeyFRGSAIJNZDMIFJ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.42
Rot. Bonds5

About [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 18195428) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID18195428
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2cncn2-c2ccc(F)cc2)s1
InChIInChI=1S/C17H13FN2O3S/c1-11-2-7-16(24-11)15(21)9-23-17(22)14-8-19-10-20(14)13-5-3-12(18)4-6-13/h2-8,10H,9H2,1H3
InChIKeyFRGSAIJNZDMIFJ-UHFFFAOYSA-N
XLogP3.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192384
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 43026994
[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-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367321
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18194149
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 18098980
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 31710897
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate
CID 18192289

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 18195428) is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate is Cc1ccc(C(=O)COC(=O)c2cncn2-c2ccc(F)cc2)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is FRGSAIJNZDMIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-11-2-7-16(24-11)15(21)9-23-17(22)14-8-19-10-20(14)13-5-3-12(18)4-6-13/h2-8,10H,9H2,1H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 18195428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).