2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone

C12H13FN2OS — CID 4568719

IUPAC2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCSC1=NCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-17-12-14-6-7-15(12)11(16)8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3
InChIKeyMUKWJSQFTHWFJN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.93
Rot. Bonds2

About 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone

2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone (PubChem CID 4568719) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
PubChem CID4568719
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCSC1=NCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-17-12-14-6-7-15(12)11(16)8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3
InChIKeyMUKWJSQFTHWFJN-UHFFFAOYSA-N
XLogP1.93
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone (CID 4568719) is 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone is CSC1=NCCN1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The InChIKey is MUKWJSQFTHWFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-17-12-14-6-7-15(12)11(16)8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone has a molecular weight of 252.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone is sourced from PubChem (CID 4568719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).