(2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone

C22H20F3N3O4S — CID 67169935

IUPAC(2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccccc2)[nH]1)N1CCC(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F3N3O4S/c23-22(24,25)32-16-7-4-8-18(13-16)33(30,31)17-9-11-28(12-10-17)21(29)19-14-26-20(27-19)15-5-2-1-3-6-15/h1-8,13-14,17H,9-12H2,(H,26,27)
InChIKeyOHVRTRNQUPGOST-UHFFFAOYSA-N
MW479.48 g/mol
LogP4.05
Rot. Bonds5

About (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone

(2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone (PubChem CID 67169935) has the molecular formula C22H20F3N3O4S and a molecular weight of 479.48 g/mol. Its IUPAC name is (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
PubChem CID67169935
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.48 g/mol
Exact Mass479.11
IUPAC Name(2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccccc2)[nH]1)N1CCC(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F3N3O4S/c23-22(24,25)32-16-7-4-8-18(13-16)33(30,31)17-9-11-28(12-10-17)21(29)19-14-26-20(27-19)15-5-2-1-3-6-15/h1-8,13-14,17H,9-12H2,(H,26,27)
InChIKeyOHVRTRNQUPGOST-UHFFFAOYSA-N
XLogP4.05
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone (CID 67169935) is (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone is O=C(c1cnc(-c2ccccc2)[nH]1)N1CCC(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone?
The InChIKey is OHVRTRNQUPGOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c23-22(24,25)32-16-7-4-8-18(13-16)33(30,31)17-9-11-28(12-10-17)21(29)19-14-26-20(27-19)15-5-2-1-3-6-15/h1-8,13-14,17H,9-12H2,(H,26,27).
What are the key properties of (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone?
(2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone has a molecular weight of 479.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1H-imidazol-5-yl)-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 67169935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).