2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine

C19H20N4O2S — CID 58211295

IUPAC2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C19H20N4O2S/c24-26(25,23-11-9-16(10-12-23)18-13-20-14-21-18)19-8-4-7-17(22-19)15-5-2-1-3-6-15/h1-8,13-14,16H,9-12H2,(H,20,21)
InChIKeyOWUKITXDOLAVPP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine

2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine (PubChem CID 58211295) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
PubChem CID58211295
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C19H20N4O2S/c24-26(25,23-11-9-16(10-12-23)18-13-20-14-21-18)19-8-4-7-17(22-19)15-5-2-1-3-6-15/h1-8,13-14,16H,9-12H2,(H,20,21)
InChIKeyOWUKITXDOLAVPP-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-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The IUPAC name of 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine (CID 58211295) is 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine.
What is the SMILES notation for 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The canonical SMILES for 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine is O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
The InChIKey is OWUKITXDOLAVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-26(25,23-11-9-16(10-12-23)18-13-20-14-21-18)19-8-4-7-17(22-19)15-5-2-1-3-6-15/h1-8,13-14,16H,9-12H2,(H,20,21).
What are the key properties of 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine?
2-[4-(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-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine is sourced from PubChem (CID 58211295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).