2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole

C26H26ClF3N4OS2 — CID 126641327

IUPAC2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole
SMILESCCCc1nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc2n1C1CCN(S(=O)C(F)(F)F)CC1
InChIInChI=1S/C26H26ClF3N4OS2/c1-2-3-23-32-21-9-6-18(24(25-31-12-15-36-25)17-4-7-19(27)8-5-17)16-22(21)34(23)20-10-13-33(14-11-20)37(35)26(28,29)30/h4-9,12,15-16,20,24H,2-3,10-11,13-14H2,1H3
InChIKeyAFOGKWCIZPIFEA-UHFFFAOYSA-N
MW567.10 g/mol
LogP7.10
Rot. Bonds7

About 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole

2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole (PubChem CID 126641327) has the molecular formula C26H26ClF3N4OS2 and a molecular weight of 567.10 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole
PubChem CID126641327
Molecular FormulaC26H26ClF3N4OS2
Molecular Weight567.10 g/mol
Exact Mass566.12
IUPAC Name2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole
SMILESCCCc1nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc2n1C1CCN(S(=O)C(F)(F)F)CC1
InChIInChI=1S/C26H26ClF3N4OS2/c1-2-3-23-32-21-9-6-18(24(25-31-12-15-36-25)17-4-7-19(27)8-5-17)16-22(21)34(23)20-10-13-33(14-11-20)37(35)26(28,29)30/h4-9,12,15-16,20,24H,2-3,10-11,13-14H2,1H3
InChIKeyAFOGKWCIZPIFEA-UHFFFAOYSA-N
XLogP7.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.10
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)-[2-(2-methylpropyl)-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole
CID 145265764
2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126629192
2-[(4-chlorophenyl)-[2-(2-methylpropyl)-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126616427
2-[(4-chlorophenyl)-[2-(2-methylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126629198
4-[6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-2-(2-methylpropyl)benzimidazol-1-yl]piperidine-1-carboxylic acid
CID 126622715
ethyl 4-[6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]benzimidazol-1-yl]piperidine-1-carboxylate
CID 126616161
2-[(4-chlorophenyl)-(3-methylbenzotriazol-5-yl)methyl]-1,3-thiazole
CID 15940782
2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)ethyl]-2-cyclopropylbenzimidazol-5-yl]methyl]-1,3-thiazole
CID 126616625
2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126616267
2-[[2-(azetidin-3-yl)-3-[2-(3-chlorophenyl)ethyl]benzimidazol-5-yl]-(4-chlorophenyl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 126616199
4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one
CID 118324008
ethyl 3-[6-[(4-methylphenyl)-(1,3-thiazol-2-yl)methyl]benzimidazol-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 145265750

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole (CID 126641327) is 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole is CCCc1nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc2n1C1CCN(S(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole?
The InChIKey is AFOGKWCIZPIFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N4OS2/c1-2-3-23-32-21-9-6-18(24(25-31-12-15-36-25)17-4-7-19(27)8-5-17)16-22(21)34(23)20-10-13-33(14-11-20)37(35)26(28,29)30/h4-9,12,15-16,20,24H,2-3,10-11,13-14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole?
2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole has a molecular weight of 567.10 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126641327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).