2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole

C8H3BrClF3N2 — CID 130053401

IUPAC2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc2[nH]c(Br)nc2cc1Cl
InChIInChI=1S/C8H3BrClF3N2/c9-7-14-5-1-3(8(11,12)13)4(10)2-6(5)15-7/h1-2H,(H,14,15)
InChIKeyHYIUQOGSIMFYJQ-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.00
Rot. Bonds

About 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole

2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 130053401) has the molecular formula C8H3BrClF3N2 and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID130053401
Molecular FormulaC8H3BrClF3N2
Molecular Weight299.48 g/mol
Exact Mass297.91
IUPAC Name2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc2[nH]c(Br)nc2cc1Cl
InChIInChI=1S/C8H3BrClF3N2/c9-7-14-5-1-3(8(11,12)13)4(10)2-6(5)15-7/h1-2H,(H,14,15)
InChIKeyHYIUQOGSIMFYJQ-UHFFFAOYSA-N
XLogP4.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole
CID 130781487
2-(2-azidopropan-2-yl)-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
CID 141052591
4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane
CID 144721415
2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole
CID 131474624
N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide
CID 90035954
7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde
CID 122503518
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 88730884
2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine
CID 162553480
6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 154140309
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 136929791

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole (CID 130053401) is 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1cc2[nH]c(Br)nc2cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is HYIUQOGSIMFYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClF3N2/c9-7-14-5-1-3(8(11,12)13)4(10)2-6(5)15-7/h1-2H,(H,14,15).
What are the key properties of 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole?
2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 299.48 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 130053401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).