2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole

C13H6BrCl2FN2 — CID 114560131

IUPAC2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
SMILESFc1cccc(Br)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H6BrCl2FN2/c14-6-2-1-3-9(17)12(6)13-18-10-4-7(15)8(16)5-11(10)19-13/h1-5H,(H,18,19)
InChIKeyUYSRUCOJHHQSAQ-UHFFFAOYSA-N
MW360.01 g/mol
LogP5.44
Rot. Bonds1

About 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole

2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole (PubChem CID 114560131) has the molecular formula C13H6BrCl2FN2 and a molecular weight of 360.01 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
PubChem CID114560131
Molecular FormulaC13H6BrCl2FN2
Molecular Weight360.01 g/mol
Exact Mass357.91
IUPAC Name2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
SMILESFc1cccc(Br)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H6BrCl2FN2/c14-6-2-1-3-9(17)12(6)13-18-10-4-7(15)8(16)5-11(10)19-13/h1-5H,(H,18,19)
InChIKeyUYSRUCOJHHQSAQ-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

6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 114560127
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 114560120
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939532
8-(2-bromo-6-fluorophenyl)-7H-purine
CID 114560138

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole (CID 114560131) is 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole is Fc1cccc(Br)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole?
The InChIKey is UYSRUCOJHHQSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FN2/c14-6-2-1-3-9(17)12(6)13-18-10-4-7(15)8(16)5-11(10)19-13/h1-5H,(H,18,19).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole?
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-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 2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole is sourced from PubChem (CID 114560131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).