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

C12H13FN2OS — CID 544945

IUPAC1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCSC1=NCCN1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-17-12-14-6-7-15(12)8-11(16)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3
InChIKeyRMPWCDVPNJRSOO-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.04
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone (PubChem CID 544945) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
PubChem CID544945
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCSC1=NCCN1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-17-12-14-6-7-15(12)8-11(16)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3
InChIKeyRMPWCDVPNJRSOO-UHFFFAOYSA-N
XLogP2.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone (CID 544945) is 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone is CSC1=NCCN1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The InChIKey is RMPWCDVPNJRSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-17-12-14-6-7-15(12)8-11(16)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone has a molecular weight of 252.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone is sourced from PubChem (CID 544945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).