5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole

C13H6BrCl2FN2 — CID 79631134

IUPAC5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3c(Cl)cccc3Cl)nc2cc1Br
InChIInChI=1S/C13H6BrCl2FN2/c14-6-4-10-11(5-9(6)17)19-13(18-10)12-7(15)2-1-3-8(12)16/h1-5H,(H,18,19)
InChIKeyIDYOYMXQEVSALC-UHFFFAOYSA-N
MW360.01 g/mol
LogP5.44
Rot. Bonds1

About 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole (PubChem CID 79631134) has the molecular formula C13H6BrCl2FN2 and a molecular weight of 360.01 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
PubChem CID79631134
Molecular FormulaC13H6BrCl2FN2
Molecular Weight360.01 g/mol
Exact Mass357.91
IUPAC Name5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3c(Cl)cccc3Cl)nc2cc1Br
InChIInChI=1S/C13H6BrCl2FN2/c14-6-4-10-11(5-9(6)17)19-13(18-10)12-7(15)2-1-3-8(12)16/h1-5H,(H,18,19)
InChIKeyIDYOYMXQEVSALC-UHFFFAOYSA-N
XLogP5.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.01
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-3-methylaniline
CID 79631596
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole
CID 107939500
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 79631691
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 107519609

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole (CID 79631134) is 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(-c3c(Cl)cccc3Cl)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is IDYOYMXQEVSALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FN2/c14-6-4-10-11(5-9(6)17)19-13(18-10)12-7(15)2-1-3-8(12)16/h1-5H,(H,18,19).
What are the key properties of 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 360.01 g/mol, XLogP of 5.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79631134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).