5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole

C16H16N2O3S2 — CID 166367978

IUPAC5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole
SMILESCc1[nH]c(SCc2ccc(S(C)(=O)=O)o2)nc1-c1ccccc1
InChIInChI=1S/C16H16N2O3S2/c1-11-15(12-6-4-3-5-7-12)18-16(17-11)22-10-13-8-9-14(21-13)23(2,19)20/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyGNFKKMNPXSPVEJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.67
Rot. Bonds5

About 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole

5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole (PubChem CID 166367978) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole
PubChem CID166367978
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole
SMILESCc1[nH]c(SCc2ccc(S(C)(=O)=O)o2)nc1-c1ccccc1
InChIInChI=1S/C16H16N2O3S2/c1-11-15(12-6-4-3-5-7-12)18-16(17-11)22-10-13-8-9-14(21-13)23(2,19)20/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyGNFKKMNPXSPVEJ-UHFFFAOYSA-N
XLogP3.67
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole?
The IUPAC name of 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole (CID 166367978) is 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole?
The canonical SMILES for 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole is Cc1[nH]c(SCc2ccc(S(C)(=O)=O)o2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole?
The InChIKey is GNFKKMNPXSPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-11-15(12-6-4-3-5-7-12)18-16(17-11)22-10-13-8-9-14(21-13)23(2,19)20/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole?
5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole has a molecular weight of 348.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole is sourced from PubChem (CID 166367978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).