4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine

C21H15F2N3S — CID 10948887

IUPAC4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine
SMILESFc1ccc(-c2[nH]c(SCc3ccccc3)nc2-c2ccnc(F)c2)cc1
InChIInChI=1S/C21H15F2N3S/c22-17-8-6-15(7-9-17)19-20(16-10-11-24-18(23)12-16)26-21(25-19)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,25,26)
InChIKeyNIEDJOSRFLXSRA-UHFFFAOYSA-N
MW379.44 g/mol
LogP5.71
Rot. Bonds5

About 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine

4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine (PubChem CID 10948887) has the molecular formula C21H15F2N3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine.

Molecular Properties

Compound Name4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine
PubChem CID10948887
Molecular FormulaC21H15F2N3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine
SMILESFc1ccc(-c2[nH]c(SCc3ccccc3)nc2-c2ccnc(F)c2)cc1
InChIInChI=1S/C21H15F2N3S/c22-17-8-6-15(7-9-17)19-20(16-10-11-24-18(23)12-16)26-21(25-19)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,25,26)
InChIKeyNIEDJOSRFLXSRA-UHFFFAOYSA-N
XLogP5.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine 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-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine?
The IUPAC name of 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine (CID 10948887) is 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine.
What is the SMILES notation for 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine?
The canonical SMILES for 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine is Fc1ccc(-c2[nH]c(SCc3ccccc3)nc2-c2ccnc(F)c2)cc1.
What is the InChIKey of 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine?
The InChIKey is NIEDJOSRFLXSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3S/c22-17-8-6-15(7-9-17)19-20(16-10-11-24-18(23)12-16)26-21(25-19)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,25,26).
What are the key properties of 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine?
4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine has a molecular weight of 379.44 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-fluoropyridine is sourced from PubChem (CID 10948887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).