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

C25H22F2N4OS — CID 52947961

IUPACN-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C25H22F2N4OS/c1-3-31-24(23(30-25(31)33-2)17-6-10-20(27)11-7-17)18-12-13-28-21(15-18)29-22(32)14-16-4-8-19(26)9-5-16/h4-13,15H,3,14H2,1-2H3,(H,28,29,32)
InChIKeyFGYPMPHFSWTBFD-UHFFFAOYSA-N
MW464.54 g/mol
LogP5.81
Rot. Bonds7

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

N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 52947961) has the molecular formula C25H22F2N4OS and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID52947961
Molecular FormulaC25H22F2N4OS
Molecular Weight464.54 g/mol
Exact Mass464.15
IUPAC NameN-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C25H22F2N4OS/c1-3-31-24(23(30-25(31)33-2)17-6-10-20(27)11-7-17)18-12-13-28-21(15-18)29-22(32)14-16-4-8-19(26)9-5-16/h4-13,15H,3,14H2,1-2H3,(H,28,29,32)
InChIKeyFGYPMPHFSWTBFD-UHFFFAOYSA-N
XLogP5.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 52947961) is N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide is CCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FGYPMPHFSWTBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4OS/c1-3-31-24(23(30-25(31)33-2)17-6-10-20(27)11-7-17)18-12-13-28-21(15-18)29-22(32)14-16-4-8-19(26)9-5-16/h4-13,15H,3,14H2,1-2H3,(H,28,29,32).
What are the key properties of N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 464.54 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-ethyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 52947961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).