2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole

C21H16F6N6S — CID 10458572

IUPAC2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2nccs2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C21H16F6N6S/c22-20(23,24)12-10-13(18-29-4-9-34-18)16-15(11-12)30-19(31-16)33-7-5-32(6-8-33)17-14(21(25,26)27)2-1-3-28-17/h1-4,9-11H,5-8H2,(H,30,31)
InChIKeyXCNFCMREGLGKMX-UHFFFAOYSA-N
MW498.46 g/mol
LogP5.45
Rot. Bonds3

About 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole

2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole (PubChem CID 10458572) has the molecular formula C21H16F6N6S and a molecular weight of 498.46 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole
PubChem CID10458572
Molecular FormulaC21H16F6N6S
Molecular Weight498.46 g/mol
Exact Mass498.11
IUPAC Name2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2nccs2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C21H16F6N6S/c22-20(23,24)12-10-13(18-29-4-9-34-18)16-15(11-12)30-19(31-16)33-7-5-32(6-8-33)17-14(21(25,26)27)2-1-3-28-17/h1-4,9-11H,5-8H2,(H,30,31)
InChIKeyXCNFCMREGLGKMX-UHFFFAOYSA-N
XLogP5.45
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-yl]-quinoline
CID 14722779
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(1,3-thiazol-2-ylamino)pyrimidine-5-carbonitrile
CID 46703462
4-pyrazin-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 10255129
CID 10621131
CID 10621131
4,6-Bis(trifluoromethyl)-2-[4-(3-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1H-benzoimidazole
CID 11496725
4-thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11498144
(E)-4-styryl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11504521
4-(6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)-piperazin-1-yl)-1H-benzo[d]imidazol-4-yl)benzenamine
CID 11519041
6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)-piperazin-1-yl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11584749

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole (CID 10458572) is 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole is FC(F)(F)c1cc(-c2nccs2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.
What is the InChIKey of 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole?
The InChIKey is XCNFCMREGLGKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N6S/c22-20(23,24)12-10-13(18-29-4-9-34-18)16-15(11-12)30-19(31-16)33-7-5-32(6-8-33)17-14(21(25,26)27)2-1-3-28-17/h1-4,9-11H,5-8H2,(H,30,31).
What are the key properties of 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole?
2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole has a molecular weight of 498.46 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 10458572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).