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

C8H4BrClF2N2 — CID 130968745

IUPAC4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole
SMILESFC(F)c1cc(Br)c2nc(Cl)[nH]c2c1
InChIInChI=1S/C8H4BrClF2N2/c9-4-1-3(7(11)12)2-5-6(4)14-8(10)13-5/h1-2,7H,(H,13,14)
InChIKeyKFKORRCDEIBCJR-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.92
Rot. Bonds1

About 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole

4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole (PubChem CID 130968745) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole
PubChem CID130968745
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole
SMILESFC(F)c1cc(Br)c2nc(Cl)[nH]c2c1
InChIInChI=1S/C8H4BrClF2N2/c9-4-1-3(7(11)12)2-5-6(4)14-8(10)13-5/h1-2,7H,(H,13,14)
InChIKeyKFKORRCDEIBCJR-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

6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
CID 130983027
2-chloro-4-(difluoromethyl)-7-fluoro-1H-benzimidazole
CID 130895405
2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 83902838
3-bromo-5-(difluoromethyl)benzene-1,2-diol
CID 84700981
2-chloro-4,6-bis(trifluoromethyl)-1H-benzimidazole
CID 11529388
2,4,6-tribromo-1H-benzimidazole
CID 130864001
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733
4-bromo-6-chloro-2-phenyl-1H-benzimidazole
CID 53438662
4-bromo-2-(trichloromethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 10177929
1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene
CID 171007965
2,6-dichloro-1H-benzimidazole-4-carboxylic acid
CID 130870211

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole?
The IUPAC name of 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole (CID 130968745) is 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole is FC(F)c1cc(Br)c2nc(Cl)[nH]c2c1.
What is the InChIKey of 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole?
The InChIKey is KFKORRCDEIBCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-4-1-3(7(11)12)2-5-6(4)14-8(10)13-5/h1-2,7H,(H,13,14).
What are the key properties of 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole?
4-bromo-2-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 4-bromo-2-chloro-6-(difluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 130968745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).