4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine

C40H26F2N6OS — CID 135183921

IUPAC4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine
SMILESO=S(c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C40H26F2N6OS/c41-31-9-1-25(2-10-31)35-37(27-17-21-43-22-18-27)47-39(45-35)29-5-13-33(14-6-29)50(49)34-15-7-30(8-16-34)40-46-36(26-3-11-32(42)12-4-26)38(48-40)28-19-23-44-24-20-28/h1-24H,(H,45,47)(H,46,48)
InChIKeyAXXLMLJHCQAFAS-UHFFFAOYSA-N
MW676.75 g/mol
LogP9.37
Rot. Bonds8

About 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine

4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine (PubChem CID 135183921) has the molecular formula C40H26F2N6OS and a molecular weight of 676.75 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine
PubChem CID135183921
Molecular FormulaC40H26F2N6OS
Molecular Weight676.75 g/mol
Exact Mass676.19
IUPAC Name4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine
SMILESO=S(c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C40H26F2N6OS/c41-31-9-1-25(2-10-31)35-37(27-17-21-43-22-18-27)47-39(45-35)29-5-13-33(14-6-29)50(49)34-15-7-30(8-16-34)40-46-36(26-3-11-32(42)12-4-26)38(48-40)28-19-23-44-24-20-28/h1-24H,(H,45,47)(H,46,48)
InChIKeyAXXLMLJHCQAFAS-UHFFFAOYSA-N
XLogP9.37
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.75
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine (CID 135183921) is 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine is O=S(c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine?
The InChIKey is AXXLMLJHCQAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F2N6OS/c41-31-9-1-25(2-10-31)35-37(27-17-21-43-22-18-27)47-39(45-35)29-5-13-33(14-6-29)50(49)34-15-7-30(8-16-34)40-46-36(26-3-11-32(42)12-4-26)38(48-40)28-19-23-44-24-20-28/h1-24H,(H,45,47)(H,46,48).
What are the key properties of 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine has a molecular weight of 676.75 g/mol, XLogP of 9.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-[4-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylphenyl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 135183921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).