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

C19H20N4O2S — CID 58211448

IUPAC2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCCC1c1cnc[nH]1
InChIInChI=1S/C19H20N4O2S/c24-26(25,23-12-5-4-10-18(23)17-13-20-14-21-17)19-11-6-9-16(22-19)15-7-2-1-3-8-15/h1-3,6-9,11,13-14,18H,4-5,10,12H2,(H,20,21)
InChIKeyYVQZXFQGNDBOKU-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.39
Rot. Bonds4

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

2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine (PubChem CID 58211448) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
PubChem CID58211448
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCCC1c1cnc[nH]1
InChIInChI=1S/C19H20N4O2S/c24-26(25,23-12-5-4-10-18(23)17-13-20-14-21-17)19-11-6-9-16(22-19)15-7-2-1-3-8-15/h1-3,6-9,11,13-14,18H,4-5,10,12H2,(H,20,21)
InChIKeyYVQZXFQGNDBOKU-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine (CID 58211448) is 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine is O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCCC1c1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The InChIKey is YVQZXFQGNDBOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-26(25,23-12-5-4-10-18(23)17-13-20-14-21-17)19-11-6-9-16(22-19)15-7-2-1-3-8-15/h1-3,6-9,11,13-14,18H,4-5,10,12H2,(H,20,21).
What are the key properties of 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine has a molecular weight of 368.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine is sourced from PubChem (CID 58211448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).