4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one

C15H12FN3OS — CID 10968627

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one
SMILESCSc1nc(-c2cc[nH]c(=O)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H12FN3OS/c1-21-15-18-13(9-2-4-11(16)5-3-9)14(19-15)10-6-7-17-12(20)8-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyNGBQSNGTCAJHFD-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.29
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one (PubChem CID 10968627) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one
PubChem CID10968627
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one
SMILESCSc1nc(-c2cc[nH]c(=O)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H12FN3OS/c1-21-15-18-13(9-2-4-11(16)5-3-9)14(19-15)10-6-7-17-12(20)8-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyNGBQSNGTCAJHFD-UHFFFAOYSA-N
XLogP3.29
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one (CID 10968627) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one is CSc1nc(-c2cc[nH]c(=O)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one?
The InChIKey is NGBQSNGTCAJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-21-15-18-13(9-2-4-11(16)5-3-9)14(19-15)10-6-7-17-12(20)8-10/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one has a molecular weight of 301.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 10968627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).