5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine

C13H6BrCl3FN3 — CID 66088046

IUPAC5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6BrCl3FN3/c14-5-1-10-12(4-9(5)18)21(13(19)20-10)11-3-7(16)6(15)2-8(11)17/h1-4H,(H2,19,20)
InChIKeyCBHMMBGIZQOFGH-UHFFFAOYSA-N
MW409.47 g/mol
LogP5.47
Rot. Bonds1

About 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine

5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine (PubChem CID 66088046) has the molecular formula C13H6BrCl3FN3 and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
PubChem CID66088046
Molecular FormulaC13H6BrCl3FN3
Molecular Weight409.47 g/mol
Exact Mass406.88
IUPAC Name5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6BrCl3FN3/c14-5-1-10-12(4-9(5)18)21(13(19)20-10)11-3-7(16)6(15)2-8(11)17/h1-4H,(H2,19,20)
InChIKeyCBHMMBGIZQOFGH-UHFFFAOYSA-N
XLogP5.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
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
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077914
1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107791625
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107791621
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine (CID 66088046) is 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine?
The InChIKey is CBHMMBGIZQOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl3FN3/c14-5-1-10-12(4-9(5)18)21(13(19)20-10)11-3-7(16)6(15)2-8(11)17/h1-4H,(H2,19,20).
What are the key properties of 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine has a molecular weight of 409.47 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 66088046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).