2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole

C32H22F4N4O2S2 — CID 70533081

IUPAC2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2nc(SOCCOSc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)[nH]3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C32H22F4N4O2S2/c33-23-9-1-19(2-10-23)27-28(20-3-11-24(34)12-4-20)38-31(37-27)43-41-17-18-42-44-32-39-29(21-5-13-25(35)14-6-21)30(40-32)22-7-15-26(36)16-8-22/h1-16H,17-18H2,(H,37,38)(H,39,40)
InChIKeyGZHCWKFFQRNPMW-UHFFFAOYSA-N
MW634.68 g/mol
LogP9.10
Rot. Bonds11

About 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole

2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole (PubChem CID 70533081) has the molecular formula C32H22F4N4O2S2 and a molecular weight of 634.68 g/mol. Its IUPAC name is 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole
PubChem CID70533081
Molecular FormulaC32H22F4N4O2S2
Molecular Weight634.68 g/mol
Exact Mass634.11
IUPAC Name2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2nc(SOCCOSc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)[nH]3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C32H22F4N4O2S2/c33-23-9-1-19(2-10-23)27-28(20-3-11-24(34)12-4-20)38-31(37-27)43-41-17-18-42-44-32-39-29(21-5-13-25(35)14-6-21)30(40-32)22-7-15-26(36)16-8-22/h1-16H,17-18H2,(H,37,38)(H,39,40)
InChIKeyGZHCWKFFQRNPMW-UHFFFAOYSA-N
XLogP9.10
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.68
LogP ≤ 59.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 18463782
4-[2-(cyclohexylmethylsulfanyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 11014045
4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
CID 12832380
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol
CID 11810939
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]-4-methylsulfanylphenol
CID 11015389
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-fluorobenzamide
CID 5013327
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626
(2S)-2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-methyl-2,3-dihydropyran-6-one
CID 67901357
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 23175662
4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-chloropyridine
CID 11732012

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole?
The IUPAC name of 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole (CID 70533081) is 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole.
What is the SMILES notation for 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole?
The canonical SMILES for 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole is Fc1ccc(-c2nc(SOCCOSc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)[nH]3)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole?
The InChIKey is GZHCWKFFQRNPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F4N4O2S2/c33-23-9-1-19(2-10-23)27-28(20-3-11-24(34)12-4-20)38-31(37-27)43-41-17-18-42-44-32-39-29(21-5-13-25(35)14-6-21)30(40-32)22-7-15-26(36)16-8-22/h1-16H,17-18H2,(H,37,38)(H,39,40).
What are the key properties of 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole?
2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole has a molecular weight of 634.68 g/mol, XLogP of 9.10, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyloxy]ethoxysulfanyl]-4,5-bis(4-fluorophenyl)-1H-imidazole is sourced from PubChem (CID 70533081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).