2-(trifluoromethyl)-2H-benzimidazole

C8H5F3N2 — CID 154142972

IUPAC2-(trifluoromethyl)-2H-benzimidazole
SMILESFC(F)(F)C1N=c2ccccc2=N1
InChIInChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7H
InChIKeyFCGAEALQHCXCTO-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.83
Rot. Bonds

About 2-(trifluoromethyl)-2H-benzimidazole

2-(trifluoromethyl)-2H-benzimidazole (PubChem CID 154142972) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2H-benzimidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-2H-benzimidazole
PubChem CID154142972
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-(trifluoromethyl)-2H-benzimidazole
SMILESFC(F)(F)C1N=c2ccccc2=N1
InChIInChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7H
InChIKeyFCGAEALQHCXCTO-UHFFFAOYSA-N
XLogP0.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2H-benzimidazole?
The IUPAC name of 2-(trifluoromethyl)-2H-benzimidazole (CID 154142972) is 2-(trifluoromethyl)-2H-benzimidazole.
What is the SMILES notation for 2-(trifluoromethyl)-2H-benzimidazole?
The canonical SMILES for 2-(trifluoromethyl)-2H-benzimidazole is FC(F)(F)C1N=c2ccccc2=N1.
What is the InChIKey of 2-(trifluoromethyl)-2H-benzimidazole?
The InChIKey is FCGAEALQHCXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7H.
What are the key properties of 2-(trifluoromethyl)-2H-benzimidazole?
2-(trifluoromethyl)-2H-benzimidazole has a molecular weight of 186.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2H-benzimidazole is sourced from PubChem (CID 154142972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).