2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine

C19H20N4O2S — CID 58211134

IUPAC2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC(c2cnc[nH]2)C1
InChIInChI=1S/C19H20N4O2S/c24-26(25,23-11-5-8-16(13-23)18-12-20-14-21-18)19-10-4-9-17(22-19)15-6-2-1-3-7-15/h1-4,6-7,9-10,12,14,16H,5,8,11,13H2,(H,20,21)
InChIKeyUBQDXJDAINPPJL-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.04
Rot. Bonds4

About 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine

2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine (PubChem CID 58211134) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
PubChem CID58211134
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC(c2cnc[nH]2)C1
InChIInChI=1S/C19H20N4O2S/c24-26(25,23-11-5-8-16(13-23)18-12-20-14-21-18)19-10-4-9-17(22-19)15-6-2-1-3-7-15/h1-4,6-7,9-10,12,14,16H,5,8,11,13H2,(H,20,21)
InChIKeyUBQDXJDAINPPJL-UHFFFAOYSA-N
XLogP3.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The IUPAC name of 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine (CID 58211134) is 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine.
What is the SMILES notation for 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The canonical SMILES for 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine is O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC(c2cnc[nH]2)C1.
What is the InChIKey of 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The InChIKey is UBQDXJDAINPPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-26(25,23-11-5-8-16(13-23)18-12-20-14-21-18)19-10-4-9-17(22-19)15-6-2-1-3-7-15/h1-4,6-7,9-10,12,14,16H,5,8,11,13H2,(H,20,21).
What are the key properties of 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine has a molecular weight of 368.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine is sourced from PubChem (CID 58211134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).