6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine

C13H7BrF3N3 — CID 116738082

IUPAC6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H7BrF3N3/c14-9-4-12-11(5-10(9)17)19-13(18)20(12)8-2-6(15)1-7(16)3-8/h1-5H,(H2,18,19)
InChIKeyAIKFBVDZVPUQDS-UHFFFAOYSA-N
MW342.12 g/mol
LogP3.79
Rot. Bonds1

About 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine

6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 116738082) has the molecular formula C13H7BrF3N3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
PubChem CID116738082
Molecular FormulaC13H7BrF3N3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H7BrF3N3/c14-9-4-12-11(5-10(9)17)19-13(18)20(12)8-2-6(15)1-7(16)3-8/h1-5H,(H2,18,19)
InChIKeyAIKFBVDZVPUQDS-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
CID 107601324
5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine
CID 66349762
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 107622297
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 66088046
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine (CID 116738082) is 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine is Nc1nc2cc(F)c(Br)cc2n1-c1cc(F)cc(F)c1.
What is the InChIKey of 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is AIKFBVDZVPUQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3/c14-9-4-12-11(5-10(9)17)19-13(18)20(12)8-2-6(15)1-7(16)3-8/h1-5H,(H2,18,19).
What are the key properties of 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine?
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 342.12 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116738082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).