4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine

C25H19N3OS — CID 10309830

IUPAC4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C25H19N3OS/c1-30(29)22-10-8-19(9-11-22)25-27-23(18-12-14-26-15-13-18)24(28-25)21-7-6-17-4-2-3-5-20(17)16-21/h2-16H,1H3,(H,27,28)
InChIKeyIJEKVOJHPYSPSL-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.70
Rot. Bonds4

About 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine

4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine (PubChem CID 10309830) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine
PubChem CID10309830
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC Name4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C25H19N3OS/c1-30(29)22-10-8-19(9-11-22)25-27-23(18-12-14-26-15-13-18)24(28-25)21-7-6-17-4-2-3-5-20(17)16-21/h2-16H,1H3,(H,27,28)
InChIKeyIJEKVOJHPYSPSL-UHFFFAOYSA-N
XLogP5.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine (CID 10309830) is 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine is CS(=O)c1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine?
The InChIKey is IJEKVOJHPYSPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c1-30(29)22-10-8-19(9-11-22)25-27-23(18-12-14-26-15-13-18)24(28-25)21-7-6-17-4-2-3-5-20(17)16-21/h2-16H,1H3,(H,27,28).
What are the key properties of 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine?
4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine has a molecular weight of 409.51 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylsulfinylphenyl)-4-naphthalen-2-yl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10309830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).