2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole

C13H6BrF3N2 — CID 114560127

IUPAC2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3c(F)cccc3Br)[nH]c2c1
InChIInChI=1S/C13H6BrF3N2/c14-7-2-1-3-8(16)11(7)13-18-10-5-6(15)4-9(17)12(10)19-13/h1-5H,(H,18,19)
InChIKeyKXFACEANLOAZKP-UHFFFAOYSA-N
MW327.10 g/mol
LogP4.41
Rot. Bonds1

About 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole

2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 114560127) has the molecular formula C13H6BrF3N2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
PubChem CID114560127
Molecular FormulaC13H6BrF3N2
Molecular Weight327.10 g/mol
Exact Mass325.97
IUPAC Name2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3c(F)cccc3Br)[nH]c2c1
InChIInChI=1S/C13H6BrF3N2/c14-7-2-1-3-8(16)11(7)13-18-10-5-6(15)4-9(17)12(10)19-13/h1-5H,(H,18,19)
InChIKeyKXFACEANLOAZKP-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463555
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131
2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 81463096
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829918
2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463017
2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 114560120
5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615392
3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107050001

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole (CID 114560127) is 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole is Fc1cc(F)c2nc(-c3c(F)cccc3Br)[nH]c2c1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is KXFACEANLOAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2/c14-7-2-1-3-8(16)11(7)13-18-10-5-6(15)4-9(17)12(10)19-13/h1-5H,(H,18,19).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole?
2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 327.10 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 114560127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).