4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole

C11H6F3N3S — CID 162665845

IUPAC4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)n1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)17-9-4-2-1-3-7(9)16-10(17)8-5-18-6-15-8/h1-6H
InChIKeyDHNLWZCXYBJXER-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.64
Rot. Bonds1

About 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole

4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole (PubChem CID 162665845) has the molecular formula C11H6F3N3S and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole
PubChem CID162665845
Molecular FormulaC11H6F3N3S
Molecular Weight269.25 g/mol
Exact Mass269.02
IUPAC Name4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)n1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)17-9-4-2-1-3-7(9)16-10(17)8-5-18-6-15-8/h1-6H
InChIKeyDHNLWZCXYBJXER-UHFFFAOYSA-N
XLogP3.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1,1,1-trifluoro-2-methyl-3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propan-2-ol
CID 124734038
1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 11425053
2-phenyl-1-(trifluoromethyl)benzimidazole
CID 123856722
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
4-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
CID 155545721
2-cyclohexyl-2-phenyl-N-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 69373134
6-[2-(1,3-thiazol-4-yl)benzimidazole-1-carbonyl]oxyhexanoic acid
CID 21441727
N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17436853
N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 1338238
N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513923

Frequently Asked Questions

What is the IUPAC name of 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole (CID 162665845) is 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole is FC(F)(F)n1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is DHNLWZCXYBJXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3S/c12-11(13,14)17-9-4-2-1-3-7(9)16-10(17)8-5-18-6-15-8/h1-6H.
What are the key properties of 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole?
4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 269.25 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(trifluoromethyl)benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 162665845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).