2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole

C20H16N2S2 — CID 950258

IUPAC2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
SMILESCSc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C20H16N2S2/c1-23-16-11-9-15(10-12-16)20-21-18(14-6-3-2-4-7-14)19(22-20)17-8-5-13-24-17/h2-13H,1H3,(H,21,22)
InChIKeyCJUQLYNFKFDTFY-UHFFFAOYSA-N
MW348.50 g/mol
LogP6.19
Rot. Bonds4

About 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole

2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole (PubChem CID 950258) has the molecular formula C20H16N2S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
PubChem CID950258
Molecular FormulaC20H16N2S2
Molecular Weight348.50 g/mol
Exact Mass348.08
IUPAC Name2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
SMILESCSc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C20H16N2S2/c1-23-16-11-9-15(10-12-16)20-21-18(14-6-3-2-4-7-14)19(22-20)17-8-5-13-24-17/h2-13H,1H3,(H,21,22)
InChIKeyCJUQLYNFKFDTFY-UHFFFAOYSA-N
XLogP6.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 3734578
N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline
CID 712255
2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 5209983
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 102124708
4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 3106619
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
[chloro(phenyl)methyl] [2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenyl] carbonate
CID 172800421
ditert-butyl [2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]methyl phosphate
CID 166165132

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The IUPAC name of 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole (CID 950258) is 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole is CSc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
The InChIKey is CJUQLYNFKFDTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S2/c1-23-16-11-9-15(10-12-16)20-21-18(14-6-3-2-4-7-14)19(22-20)17-8-5-13-24-17/h2-13H,1H3,(H,21,22).
What are the key properties of 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole?
2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole has a molecular weight of 348.50 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 950258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).