4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine

C22H19N3S2 — CID 11784086

IUPAC4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine
SMILESCSc1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C22H19N3S2/c1-26-19-9-7-16(8-10-19)15-27-22-24-20(17-5-3-2-4-6-17)21(25-22)18-11-13-23-14-12-18/h2-14H,15H2,1H3,(H,24,25)
InChIKeyFYPWXHOQPYDISC-UHFFFAOYSA-N
MW389.55 g/mol
LogP6.15
Rot. Bonds6

About 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine

4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine (PubChem CID 11784086) has the molecular formula C22H19N3S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine
PubChem CID11784086
Molecular FormulaC22H19N3S2
Molecular Weight389.55 g/mol
Exact Mass389.10
IUPAC Name4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine
SMILESCSc1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C22H19N3S2/c1-26-19-9-7-16(8-10-19)15-27-22-24-20(17-5-3-2-4-6-17)21(25-22)18-11-13-23-14-12-18/h2-14H,15H2,1H3,(H,24,25)
InChIKeyFYPWXHOQPYDISC-UHFFFAOYSA-N
XLogP6.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.55
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-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-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine (CID 11784086) is 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine is CSc1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine?
The InChIKey is FYPWXHOQPYDISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3S2/c1-26-19-9-7-16(8-10-19)15-27-22-24-20(17-5-3-2-4-6-17)21(25-22)18-11-13-23-14-12-18/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine?
4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine has a molecular weight of 389.55 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-phenyl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 11784086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).