2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole

C25H27ClN4O2S2 — CID 126629192

IUPAC2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole
SMILESCCc1nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc2n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C25H27ClN4O2S2/c1-3-23-28-21-9-6-18(24(25-27-12-15-33-25)17-4-7-19(26)8-5-17)16-22(21)30(23)20-10-13-29(14-11-20)34(2,31)32/h4-9,12,15-16,20,24H,3,10-11,13-14H2,1-2H3
InChIKeyVETYBCPVKNPWGG-UHFFFAOYSA-N
MW515.10 g/mol
LogP5.49
Rot. Bonds6

About 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole

2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole (PubChem CID 126629192) has the molecular formula C25H27ClN4O2S2 and a molecular weight of 515.10 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole
PubChem CID126629192
Molecular FormulaC25H27ClN4O2S2
Molecular Weight515.10 g/mol
Exact Mass514.13
IUPAC Name2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole
SMILESCCc1nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc2n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C25H27ClN4O2S2/c1-3-23-28-21-9-6-18(24(25-27-12-15-33-25)17-4-7-19(26)8-5-17)16-22(21)30(23)20-10-13-29(14-11-20)34(2,31)32/h4-9,12,15-16,20,24H,3,10-11,13-14H2,1-2H3
InChIKeyVETYBCPVKNPWGG-UHFFFAOYSA-N
XLogP5.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.10
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[(4-chlorophenyl)-[2-(2-methylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126629198
2-[(4-chlorophenyl)-[2-(2-methylpropyl)-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126616427
4-[6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-2-(2-methylpropyl)benzimidazol-1-yl]piperidine-1-carboxylic acid
CID 126622715
2-[(4-chlorophenyl)-[2-propyl-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126641327
2-[(4-chlorophenyl)-[2-(2-methylpropyl)-3-[1-(trifluoromethylsulfinyl)piperidin-4-yl]benzimidazol-5-yl]methyl]-1,3-thiazole
CID 145265764
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-[1-(4-chlorophenyl)ethyl]-2-cyclopropylbenzimidazol-5-yl]methyl]-1,3-thiazole
CID 126616625
2-[(4-chlorophenyl)-(3-methylbenzotriazol-5-yl)methyl]-1,3-thiazole
CID 15940782
6-[bis(4-chlorophenyl)methyl]-2-cyclopropyl-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 126616429
2-[(4-chlorophenyl)-[3-[1-(4-chlorophenyl)propan-2-yl]-2-(difluoromethyl)benzimidazol-5-yl]methyl]-1,3-thiazole
CID 126616267
4-[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 126616619
4-[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]sulfonylbenzamide
CID 126616549

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole (CID 126629192) is 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole is CCc1nc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc2n1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole?
The InChIKey is VETYBCPVKNPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2S2/c1-3-23-28-21-9-6-18(24(25-27-12-15-33-25)17-4-7-19(26)8-5-17)16-22(21)30(23)20-10-13-29(14-11-20)34(2,31)32/h4-9,12,15-16,20,24H,3,10-11,13-14H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole?
2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole has a molecular weight of 515.10 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-[2-ethyl-3-(1-methylsulfonylpiperidin-4-yl)benzimidazol-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126629192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).