2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide

C24H20F2N4OS — CID 52946501

IUPAC2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)n1C
InChIInChI=1S/C24H20F2N4OS/c1-30-23(22(29-24(30)32-2)16-5-9-19(26)10-6-16)17-11-12-27-20(14-17)28-21(31)13-15-3-7-18(25)8-4-15/h3-12,14H,13H2,1-2H3,(H,27,28,31)
InChIKeyKVIZEBGKEPDALA-UHFFFAOYSA-N
MW450.51 g/mol
LogP5.33
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 52946501) has the molecular formula C24H20F2N4OS and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID52946501
Molecular FormulaC24H20F2N4OS
Molecular Weight450.51 g/mol
Exact Mass450.13
IUPAC Name2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)n1C
InChIInChI=1S/C24H20F2N4OS/c1-30-23(22(29-24(30)32-2)16-5-9-19(26)10-6-16)17-11-12-27-20(14-17)28-21(31)13-15-3-7-18(25)8-4-15/h3-12,14H,13H2,1-2H3,(H,27,28,31)
InChIKeyKVIZEBGKEPDALA-UHFFFAOYSA-N
XLogP5.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (CID 52946501) is 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)n1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is KVIZEBGKEPDALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4OS/c1-30-23(22(29-24(30)32-2)16-5-9-19(26)10-6-16)17-11-12-27-20(14-17)28-21(31)13-15-3-7-18(25)8-4-15/h3-12,14H,13H2,1-2H3,(H,27,28,31).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 450.51 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 52946501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).