1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone

C11H11ClN2OS — CID 586957

IUPAC1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone
SMILESO=C(CSC1=NCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2OS/c12-9-3-1-8(2-4-9)10(15)7-16-11-13-5-6-14-11/h1-4H,5-7H2,(H,13,14)
InChIKeyVOGONKKGJKGMBS-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.22
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone

1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone (PubChem CID 586957) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone
PubChem CID586957
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone
SMILESO=C(CSC1=NCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2OS/c12-9-3-1-8(2-4-9)10(15)7-16-11-13-5-6-14-11/h1-4H,5-7H2,(H,13,14)
InChIKeyVOGONKKGJKGMBS-UHFFFAOYSA-N
XLogP2.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-2-((4,5-dihydro-2-thiazolyl)thio)ethanone
CID 867566
2-(2,4-dichlorophenyl)-2-oxoethyl N'-cyano-N-methylcarbamimidothioate
CID 659589
5-(2-(4-Chlorophenyl)-2-oxoethyl)-2-imino-1,3-thiazolidin-4-one
CID 247102
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one
CID 135437514
1-(3,4-Dichlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)sulfanyl)ethan-1-one--hydrogen bromide (1/1)
CID 36648
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide
CID 5458345
ST51010489
CID 52896
Ethanone, 1-(4-chlorophenyl)-2-(2-thiazolidinylideno)-
CID 5376906
Dita
CID 36649
2-Imidazoline, 2-phenacylthio-, hydrochloride
CID 52895
1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide
CID 12845182
2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 924657

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone (CID 586957) is 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone is O=C(CSC1=NCCN1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone?
The InChIKey is VOGONKKGJKGMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-9-3-1-8(2-4-9)10(15)7-16-11-13-5-6-14-11/h1-4H,5-7H2,(H,13,14).
What are the key properties of 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone?
1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone has a molecular weight of 254.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 586957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).