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

C22H18ClFN2O2S — CID 3633238

IUPAC1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1c(F)cccc1Cl
InChIInChI=1S/C22H18ClFN2O2S/c23-19-6-3-7-20(24)18(19)14-29-22-25-10-11-26(22)21(27)13-28-17-9-8-15-4-1-2-5-16(15)12-17/h1-9,12H,10-11,13-14H2
InChIKeyMYMOBDOXAUSGDR-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.14
Rot. Bonds5

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

1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 3633238) has the molecular formula C22H18ClFN2O2S and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID3633238
Molecular FormulaC22H18ClFN2O2S
Molecular Weight428.92 g/mol
Exact Mass428.08
IUPAC Name1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1c(F)cccc1Cl
InChIInChI=1S/C22H18ClFN2O2S/c23-19-6-3-7-20(24)18(19)14-29-22-25-10-11-26(22)21(27)13-28-17-9-8-15-4-1-2-5-16(15)12-17/h1-9,12H,10-11,13-14H2
InChIKeyMYMOBDOXAUSGDR-UHFFFAOYSA-N
XLogP5.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

2-naphthalen-2-yloxy-1-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3633687
2-(4-chlorophenoxy)-1-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 5173585
(4-tert-butylphenyl)-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4244807
1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
CID 4178401
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 19285589
[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone
CID 4283251
1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone
CID 3415570
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-naphthalen-1-ylmethanone
CID 4208332
(2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5130042
2-(2,4-dichlorophenoxy)-1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3678999
2-(2,4-dichlorophenoxy)-1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4181103
2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one
CID 4688052

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone (CID 3633238) is 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1c(F)cccc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is MYMOBDOXAUSGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2S/c23-19-6-3-7-20(24)18(19)14-29-22-25-10-11-26(22)21(27)13-28-17-9-8-15-4-1-2-5-16(15)12-17/h1-9,12H,10-11,13-14H2.
What are the key properties of 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone?
1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 428.92 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 3633238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).