2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole

C11H7F3N4 — CID 73011048

IUPAC2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-n3ccnc3)[nH]c2c1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)7-1-2-8-9(5-7)17-10(16-8)18-4-3-15-6-18/h1-6H,(H,16,17)
InChIKeyGGMWPRBFBQARQJ-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.77
Rot. Bonds1

About 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole

2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 73011048) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID73011048
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-n3ccnc3)[nH]c2c1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)7-1-2-8-9(5-7)17-10(16-8)18-4-3-15-6-18/h1-6H,(H,16,17)
InChIKeyGGMWPRBFBQARQJ-UHFFFAOYSA-N
XLogP2.77
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one
CID 154207023
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole
CID 134284036
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 141252366
2-imidazol-1-yl-5-(trifluoromethyl)benzenecarbothioamide
CID 43331299
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 104786107

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole (CID 73011048) is 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-n3ccnc3)[nH]c2c1.
What is the InChIKey of 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is GGMWPRBFBQARQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c12-11(13,14)7-1-2-8-9(5-7)17-10(16-8)18-4-3-15-6-18/h1-6H,(H,16,17).
What are the key properties of 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole?
2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 252.20 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 73011048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).