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

C16H14FN3OS — CID 10935965

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine
SMILESCOc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H14FN3OS/c1-21-13-9-11(7-8-18-13)15-14(19-16(20-15)22-2)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKeyGCDPHNDMHYQIDA-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.01
Rot. Bonds4

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

4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine (PubChem CID 10935965) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine
PubChem CID10935965
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine
SMILESCOc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H14FN3OS/c1-21-13-9-11(7-8-18-13)15-14(19-16(20-15)22-2)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKeyGCDPHNDMHYQIDA-UHFFFAOYSA-N
XLogP4.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine (CID 10935965) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine is COc1cc(-c2nc(SC)[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine?
The InChIKey is GCDPHNDMHYQIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-21-13-9-11(7-8-18-13)15-14(19-16(20-15)22-2)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine has a molecular weight of 315.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 10935965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).