4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole

C23H15F5N2O2S — CID 12832380

IUPAC4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
SMILESCOc1ccc(-c2nc(Sc3c(F)c(F)c(F)c(F)c3F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H15F5N2O2S/c1-31-13-7-3-11(4-8-13)20-21(12-5-9-14(32-2)10-6-12)30-23(29-20)33-22-18(27)16(25)15(24)17(26)19(22)28/h3-10H,1-2H3,(H,29,30)
InChIKeyFWSZSSSAMXTCES-UHFFFAOYSA-N
MW478.44 g/mol
LogP6.61
Rot. Bonds6

About 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole

4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole (PubChem CID 12832380) has the molecular formula C23H15F5N2O2S and a molecular weight of 478.44 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
PubChem CID12832380
Molecular FormulaC23H15F5N2O2S
Molecular Weight478.44 g/mol
Exact Mass478.08
IUPAC Name4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
SMILESCOc1ccc(-c2nc(Sc3c(F)c(F)c(F)c(F)c3F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H15F5N2O2S/c1-31-13-7-3-11(4-8-13)20-21(12-5-9-14(32-2)10-6-12)30-23(29-20)33-22-18(27)16(25)15(24)17(26)19(22)28/h3-10H,1-2H3,(H,29,30)
InChIKeyFWSZSSSAMXTCES-UHFFFAOYSA-N
XLogP6.61
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.44
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole
CID 12832321
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
CID 12832390
2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine
CID 102219519
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol
CID 23457651
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-fluorobenzamide
CID 5013327
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 2718104
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole
CID 139680874

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole (CID 12832380) is 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole is COc1ccc(-c2nc(Sc3c(F)c(F)c(F)c(F)c3F)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole?
The InChIKey is FWSZSSSAMXTCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F5N2O2S/c1-31-13-7-3-11(4-8-13)20-21(12-5-9-14(32-2)10-6-12)30-23(29-20)33-22-18(27)16(25)15(24)17(26)19(22)28/h3-10H,1-2H3,(H,29,30).
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole?
4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole has a molecular weight of 478.44 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole is sourced from PubChem (CID 12832380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).