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

C8H4BrClF2N2 — CID 130781487

IUPAC2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole
SMILESFC(F)c1cc2[nH]c(Br)nc2cc1Cl
InChIInChI=1S/C8H4BrClF2N2/c9-8-13-5-1-3(7(11)12)4(10)2-6(5)14-8/h1-2,7H,(H,13,14)
InChIKeyCBKCGWGXYIOCIW-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.92
Rot. Bonds1

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

2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole (PubChem CID 130781487) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole
PubChem CID130781487
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole
SMILESFC(F)c1cc2[nH]c(Br)nc2cc1Cl
InChIInChI=1S/C8H4BrClF2N2/c9-8-13-5-1-3(7(11)12)4(10)2-6(5)14-8/h1-2,7H,(H,13,14)
InChIKeyCBKCGWGXYIOCIW-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
CID 130053401
2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole
CID 131474624
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile
CID 131296252
2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol
CID 83892414
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
CID 131475908
5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 118428722
5-chloro-4-(difluoromethyl)-2-iodopyridine
CID 130095401
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole (CID 130781487) is 2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole is FC(F)c1cc2[nH]c(Br)nc2cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole?
The InChIKey is CBKCGWGXYIOCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-8-13-5-1-3(7(11)12)4(10)2-6(5)14-8/h1-2,7H,(H,13,14).
What are the key properties of 2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole?
2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole has a molecular weight of 281.49 g/mol, XLogP of 3.92, 1 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-(difluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 130781487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).