4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine

C23H20FN3S — CID 10927245

IUPAC4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(SCCCc3ccccc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN3S/c24-20-10-8-18(9-11-20)21-22(19-12-14-25-15-13-19)27-23(26-21)28-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15H,4,7,16H2,(H,26,27)
InChIKeyOZBWYFYCGDHHHR-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.00
Rot. Bonds7

About 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine

4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10927245) has the molecular formula C23H20FN3S and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine
PubChem CID10927245
Molecular FormulaC23H20FN3S
Molecular Weight389.50 g/mol
Exact Mass389.14
IUPAC Name4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(SCCCc3ccccc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN3S/c24-20-10-8-18(9-11-20)21-22(19-12-14-25-15-13-19)27-23(26-21)28-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15H,4,7,16H2,(H,26,27)
InChIKeyOZBWYFYCGDHHHR-UHFFFAOYSA-N
XLogP6.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine with MolForge

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Related Compounds

Sb-203580
CID 176155
Lecimibide
CID 71355
6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
Arpromidine
CID 65895
N-(5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10171940
N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10286315
Adezmapimod, (S)-
CID 9543416
1-Phenyl-3-p-tolyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
CID 2873568
{4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
CID 10862355
6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 3012527
ML-3403
CID 6419739
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridine
CID 9795838

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine (CID 10927245) is 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(SCCCc3ccccc3)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is OZBWYFYCGDHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3S/c24-20-10-8-18(9-11-20)21-22(19-12-14-25-15-13-19)27-23(26-21)28-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15H,4,7,16H2,(H,26,27).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 389.50 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(3-phenylpropylsulfanyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10927245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).