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

C23H20FN3S — CID 10668078

IUPAC4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
SMILESFc1ccc(-c2ncn(CCCSc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN3S/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-28-21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2
InChIKeyHSIJDSUYWFNDTO-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.93
Rot. Bonds7

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

4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine (PubChem CID 10668078) has the molecular formula C23H20FN3S and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
PubChem CID10668078
Molecular FormulaC23H20FN3S
Molecular Weight389.50 g/mol
Exact Mass389.14
IUPAC Name4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
SMILESFc1ccc(-c2ncn(CCCSc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN3S/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-28-21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2
InChIKeyHSIJDSUYWFNDTO-UHFFFAOYSA-N
XLogP5.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.93
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-phenylsulfanylpropyl)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

Related Compounds

Sb-203580
CID 176155
6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
PF-670462
CID 51049607
VK-19911
CID 9797240
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
Adezmapimod, (S)-
CID 9543416
SK&F 104351
CID 122656
SK&F 105809
CID 129725
E6Clv6G2RR
CID 16750138
1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-[5-(4-Fluorophenyl)-2-(4-methanesulfinyl-benzylsulfanyl)-3H-imidazol-4-yl]pyridine
CID 9845197

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine (CID 10668078) is 4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine is Fc1ccc(-c2ncn(CCCSc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine?
The InChIKey is HSIJDSUYWFNDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3S/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-28-21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine has a molecular weight of 389.50 g/mol, XLogP of 5.93, 7 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-phenylsulfanylpropyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10668078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).