1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine

C13H6BrCl2FIN3 — CID 107791621

IUPAC1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H6BrCl2FIN3/c14-5-1-2-9(12(16)11(5)15)21-10-3-6(17)7(18)4-8(10)20-13(21)19/h1-4H,(H2,19,20)
InChIKeyYCUCHOMIELUBEA-UHFFFAOYSA-N
MW500.92 g/mol
LogP5.42
Rot. Bonds1

About 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine

1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 107791621) has the molecular formula C13H6BrCl2FIN3 and a molecular weight of 500.92 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID107791621
Molecular FormulaC13H6BrCl2FIN3
Molecular Weight500.92 g/mol
Exact Mass498.82
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H6BrCl2FIN3/c14-5-1-2-9(12(16)11(5)15)21-10-3-6(17)7(18)4-8(10)20-13(21)19/h1-4H,(H2,19,20)
InChIKeyYCUCHOMIELUBEA-UHFFFAOYSA-N
XLogP5.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.92
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107791625
1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 81287131
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100981
1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077914
1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 107791596
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-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107622311
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 107791621) is 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1-c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is YCUCHOMIELUBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FIN3/c14-5-1-2-9(12(16)11(5)15)21-10-3-6(17)7(18)4-8(10)20-13(21)19/h1-4H,(H2,19,20).
What are the key properties of 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 500.92 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 107791621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).