5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid

C21H16N2O3S — CID 28914610

IUPAC5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1
InChIInChI=1S/C21H16N2O3S/c24-20(25)17-12-11-16(26-17)13-27-21-22-18(14-7-3-1-4-8-14)19(23-21)15-9-5-2-6-10-15/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyJNEQIFFZGIDEMP-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.33
Rot. Bonds6

About 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid

5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid (PubChem CID 28914610) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
PubChem CID28914610
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1
InChIInChI=1S/C21H16N2O3S/c24-20(25)17-12-11-16(26-17)13-27-21-22-18(14-7-3-1-4-8-14)19(23-21)15-9-5-2-6-10-15/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyJNEQIFFZGIDEMP-UHFFFAOYSA-N
XLogP5.33
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 3773711
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 28914515
5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid
CID 16782583
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 23175662
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole
CID 166367978
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649
4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine
CID 11784086
1-[5-(1H-benzimidazol-2-ylsulfanylmethyl)furan-2-yl]-2,2,2-trifluoroethanone
CID 2225945
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid (CID 28914610) is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid is O=C(O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1.
What is the InChIKey of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid?
The InChIKey is JNEQIFFZGIDEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-20(25)17-12-11-16(26-17)13-27-21-22-18(14-7-3-1-4-8-14)19(23-21)15-9-5-2-6-10-15/h1-12H,13H2,(H,22,23)(H,24,25).
What are the key properties of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid?
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid has a molecular weight of 376.44 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 28914610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).