1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone

C17H18N2OS2 — CID 3413161

IUPAC1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccccc1CSC1=NCCN1C(=O)Cc1cccs1
InChIInChI=1S/C17H18N2OS2/c1-13-5-2-3-6-14(13)12-22-17-18-8-9-19(17)16(20)11-15-7-4-10-21-15/h2-7,10H,8-9,11-12H2,1H3
InChIKeyJUKOQHFPQXSNJY-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone

1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone (PubChem CID 3413161) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
PubChem CID3413161
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccccc1CSC1=NCCN1C(=O)Cc1cccs1
InChIInChI=1S/C17H18N2OS2/c1-13-5-2-3-6-14(13)12-22-17-18-8-9-19(17)16(20)11-15-7-4-10-21-15/h2-7,10H,8-9,11-12H2,1H3
InChIKeyJUKOQHFPQXSNJY-UHFFFAOYSA-N
XLogP3.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 3327765
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 5055867
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3243391
1-(2-((4-bromobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 3562417
1-[2-(Methylthio)-2-imidazolin-1-yl]-2-(2-thienyl)-1-ethanone
CID 4058355
[2-[(2,5-Dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
CID 5056653
1-[2-[(4-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 4581954
1-(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 5019881
2-(thiophen-2-yl)-1-(2-((4-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 4215763
2-(4-fluorophenyl)-1-(2-((2-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 4377638
1-[4-(2-Phenylethyl)piperazin-1-yl]-2-(thiophen-2-yl)ethanone
CID 2970684
1-(2-((2-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenylethanone
CID 4428363

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone (CID 3413161) is 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone is Cc1ccccc1CSC1=NCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is JUKOQHFPQXSNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-13-5-2-3-6-14(13)12-22-17-18-8-9-19(17)16(20)11-15-7-4-10-21-15/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 330.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 3413161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).