[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone

C17H14ClFN2OS — CID 3507183

IUPAC[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN=C1SCc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN2OS/c18-13-7-5-12(6-8-13)11-23-17-20-9-10-21(17)16(22)14-3-1-2-4-15(14)19/h1-8H,9-11H2
InChIKeyFFLHXEJRSTWEPN-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.22
Rot. Bonds3

About [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone

[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone (PubChem CID 3507183) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone
PubChem CID3507183
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC Name[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN=C1SCc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN2OS/c18-13-7-5-12(6-8-13)11-23-17-20-9-10-21(17)16(22)14-3-1-2-4-15(14)19/h1-8H,9-11H2
InChIKeyFFLHXEJRSTWEPN-UHFFFAOYSA-N
XLogP4.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
N-[4-(2-chlorophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669676
N-[4-(3-chlorophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669679
(4-Chlorophenyl)(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 879497
(2-chloro-6-fluorophenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3236434
(E)-2-(2-(benzylimino)thiazolidin-3-yl)-1-(4-chlorophenyl)ethanone hydrobromide
CID 12005515
N-(4-amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-chlorobenzamide
CID 135521506
[2-[(4-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
CID 4351492
4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 71528575
4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]benzamide
CID 3245252
2-[Benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-chlorophenyl)ethanone;hydrobromide
CID 12006248

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone (CID 3507183) is [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN=C1SCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is FFLHXEJRSTWEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c18-13-7-5-12(6-8-13)11-23-17-20-9-10-21(17)16(22)14-3-1-2-4-15(14)19/h1-8H,9-11H2.
What are the key properties of [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone?
[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 348.83 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 3507183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).