6-chloro-2-(trifluoromethyl)-1H-benzimidazole

C8H4ClF3N2 — CID 12607

IUPAC6-chloro-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C8H4ClF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKeyOQKQEDXERMELRT-UHFFFAOYSA-N
MW220.58 g/mol
LogP3.24
Rot. Bonds

About 6-chloro-2-(trifluoromethyl)-1H-benzimidazole

6-chloro-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 12607) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID12607
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name6-chloro-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C8H4ClF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKeyOQKQEDXERMELRT-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-1H-benzimidazole (CID 12607) is 6-chloro-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is OQKQEDXERMELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 6-chloro-2-(trifluoromethyl)-1H-benzimidazole?
6-chloro-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 220.58 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 12607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).