1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol

C22H21ClF3N3O3S — CID 122595824

IUPAC1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(-c2ncc(-c3ccc(CC(F)(F)F)cc3)[nH]2)ccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C22H21ClF3N3O3S/c23-18-6-5-16(11-20(18)33(31,32)29-9-7-17(30)8-10-29)21-27-13-19(28-21)15-3-1-14(2-4-15)12-22(24,25)26/h1-6,11,13,17,30H,7-10,12H2,(H,27,28)
InChIKeyPEBOAYGNYJVRBW-UHFFFAOYSA-N
MW499.94 g/mol
LogP4.65
Rot. Bonds5

About 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol

1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol (PubChem CID 122595824) has the molecular formula C22H21ClF3N3O3S and a molecular weight of 499.94 g/mol. Its IUPAC name is 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
PubChem CID122595824
Molecular FormulaC22H21ClF3N3O3S
Molecular Weight499.94 g/mol
Exact Mass499.09
IUPAC Name1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(-c2ncc(-c3ccc(CC(F)(F)F)cc3)[nH]2)ccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C22H21ClF3N3O3S/c23-18-6-5-16(11-20(18)33(31,32)29-9-7-17(30)8-10-29)21-27-13-19(28-21)15-3-1-14(2-4-15)12-22(24,25)26/h1-6,11,13,17,30H,7-10,12H2,(H,27,28)
InChIKeyPEBOAYGNYJVRBW-UHFFFAOYSA-N
XLogP4.65
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.94
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122594630
1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122594627
4-[2-[4-chloro-3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-1H-imidazol-5-yl]-2-fluorobenzonitrile
CID 122595847
(4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-4-ol
CID 122594731
1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol
CID 122594560
1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol
CID 122594613
(3R,6S)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepane-3,6-diol
CID 122594773
(5R)-8-[2-chloro-5-[5-(3-chloro-4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130287321
1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-3-ol
CID 122594660
(3R,4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpyrrolidine-3,4-diol
CID 122594725
8-[2-chloro-5-[5-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130291457
1-[5-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidine
CID 122594576

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol (CID 122595824) is 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1cc(-c2ncc(-c3ccc(CC(F)(F)F)cc3)[nH]2)ccc1Cl)N1CCC(O)CC1.
What is the InChIKey of 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?
The InChIKey is PEBOAYGNYJVRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O3S/c23-18-6-5-16(11-20(18)33(31,32)29-9-7-17(30)8-10-29)21-27-13-19(28-21)15-3-1-14(2-4-15)12-22(24,25)26/h1-6,11,13,17,30H,7-10,12H2,(H,27,28).
What are the key properties of 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?
1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol has a molecular weight of 499.94 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 122595824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).