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

C18H20N2OS2 — CID 3314468

IUPAC1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)Cc2cccs2)c1
InChIInChI=1S/C18H20N2OS2/c1-13-5-6-14(2)15(10-13)12-23-18-19-7-8-20(18)17(21)11-16-4-3-9-22-16/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyCACOHGHGUBGPHM-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.04
Rot. Bonds4

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

1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone (PubChem CID 3314468) has the molecular formula C18H20N2OS2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
PubChem CID3314468
Molecular FormulaC18H20N2OS2
Molecular Weight344.50 g/mol
Exact Mass344.10
IUPAC Name1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)Cc2cccs2)c1
InChIInChI=1S/C18H20N2OS2/c1-13-5-6-14(2)15(10-13)12-23-18-19-7-8-20(18)17(21)11-16-4-3-9-22-16/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyCACOHGHGUBGPHM-UHFFFAOYSA-N
XLogP4.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

(2,6-dimethoxyphenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3570534
(2-chloro-6-fluorophenyl)-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5130042
4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 3314470
1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole
CID 45097295
1-[4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802590
(2-methylphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4997936
furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5061509
[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4290659
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
CID 62538353
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802544
1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone (CID 3314468) is 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone is Cc1ccc(C)c(CSC2=NCCN2C(=O)Cc2cccs2)c1.
What is the InChIKey of 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is CACOHGHGUBGPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-13-5-6-14(2)15(10-13)12-23-18-19-7-8-20(18)17(21)11-16-4-3-9-22-16/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone?
1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 344.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 3314468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).