4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine

C18H19N3S — CID 56899751

IUPAC4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine
SMILESCSc1ccc(-c2nccn2C(C)Cc2ccncc2)cc1
InChIInChI=1S/C18H19N3S/c1-14(13-15-7-9-19-10-8-15)21-12-11-20-18(21)16-3-5-17(22-2)6-4-16/h3-12,14H,13H2,1-2H3
InChIKeyXCHWSMUCWFOPHK-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.47
Rot. Bonds5

About 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine

4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine (PubChem CID 56899751) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine.

Molecular Properties

Compound Name4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine
PubChem CID56899751
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine
SMILESCSc1ccc(-c2nccn2C(C)Cc2ccncc2)cc1
InChIInChI=1S/C18H19N3S/c1-14(13-15-7-9-19-10-8-15)21-12-11-20-18(21)16-3-5-17(22-2)6-4-16/h3-12,14H,13H2,1-2H3
InChIKeyXCHWSMUCWFOPHK-UHFFFAOYSA-N
XLogP4.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine?
The IUPAC name of 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine (CID 56899751) is 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine.
What is the SMILES notation for 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine?
The canonical SMILES for 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine is CSc1ccc(-c2nccn2C(C)Cc2ccncc2)cc1.
What is the InChIKey of 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine?
The InChIKey is XCHWSMUCWFOPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-14(13-15-7-9-19-10-8-15)21-12-11-20-18(21)16-3-5-17(22-2)6-4-16/h3-12,14H,13H2,1-2H3.
What are the key properties of 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine?
4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine has a molecular weight of 309.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine is sourced from PubChem (CID 56899751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).