1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

C12H12ClFN2OS — CID 4612415

IUPAC1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1SCc1c(F)cccc1Cl
InChIInChI=1S/C12H12ClFN2OS/c1-8(17)16-6-5-15-12(16)18-7-9-10(13)3-2-4-11(9)14/h2-4H,5-7H2,1H3
InChIKeyVVIMEFLLBGIASD-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.93
Rot. Bonds2

About 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 4612415) has the molecular formula C12H12ClFN2OS and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID4612415
Molecular FormulaC12H12ClFN2OS
Molecular Weight286.76 g/mol
Exact Mass286.03
IUPAC Name1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1SCc1c(F)cccc1Cl
InChIInChI=1S/C12H12ClFN2OS/c1-8(17)16-6-5-15-12(16)18-7-9-10(13)3-2-4-11(9)14/h2-4H,5-7H2,1H3
InChIKeyVVIMEFLLBGIASD-UHFFFAOYSA-N
XLogP2.93
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-
CID 43541
1-(2-((3-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 3467552
1-(2-((4-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one
CID 3241414
1-[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4101503
(2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(cyclopropyl)methanone
CID 5085871
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4092915
1-[2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 4440197
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 5212505
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197578
2-[(4-chlorobenzyl)thio]-1-(cyclopropylcarbonyl)-4,5-dihydro-1H-imidazole
CID 3244427
1-[2-[(4-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3249369
1-[2-[(4-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 4074953

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (CID 4612415) is 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is CC(=O)N1CCN=C1SCc1c(F)cccc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is VVIMEFLLBGIASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2OS/c1-8(17)16-6-5-15-12(16)18-7-9-10(13)3-2-4-11(9)14/h2-4H,5-7H2,1H3.
What are the key properties of 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 286.76 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 4612415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).