4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine

C18H18FN3S — CID 10087844

IUPAC4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine
SMILESCSCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H18FN3S/c1-23-12-2-11-22-13-21-17(14-3-5-16(19)6-4-14)18(22)15-7-9-20-10-8-15/h3-10,13H,2,11-12H2,1H3
InChIKeyPLUFSXPPGWXWEZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.50
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine (PubChem CID 10087844) has the molecular formula C18H18FN3S and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine
PubChem CID10087844
Molecular FormulaC18H18FN3S
Molecular Weight327.43 g/mol
Exact Mass327.12
IUPAC Name4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine
SMILESCSCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H18FN3S/c1-23-12-2-11-22-13-21-17(14-3-5-16(19)6-4-14)18(22)15-7-9-20-10-8-15/h3-10,13H,2,11-12H2,1H3
InChIKeyPLUFSXPPGWXWEZ-UHFFFAOYSA-N
XLogP4.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine 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)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine (CID 10087844) is 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine is CSCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine?
The InChIKey is PLUFSXPPGWXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3S/c1-23-12-2-11-22-13-21-17(14-3-5-16(19)6-4-14)18(22)15-7-9-20-10-8-15/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine has a molecular weight of 327.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10087844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).