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

C13H7BrF2IN3 — CID 79766831

IUPAC5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1ccc(F)cc1I
InChIInChI=1S/C13H7BrF2IN3/c14-7-4-10-12(5-8(7)16)20(13(18)19-10)11-2-1-6(15)3-9(11)17/h1-5H,(H2,18,19)
InChIKeyDMWKULANLASBAM-UHFFFAOYSA-N
MW450.02 g/mol
LogP4.25
Rot. Bonds1

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

5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine (PubChem CID 79766831) has the molecular formula C13H7BrF2IN3 and a molecular weight of 450.02 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
PubChem CID79766831
Molecular FormulaC13H7BrF2IN3
Molecular Weight450.02 g/mol
Exact Mass448.88
IUPAC Name5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1ccc(F)cc1I
InChIInChI=1S/C13H7BrF2IN3/c14-7-4-10-12(5-8(7)16)20(13(18)19-10)11-2-1-6(15)3-9(11)17/h1-5H,(H2,18,19)
InChIKeyDMWKULANLASBAM-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.02
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
5-fluoro-1-(4-fluoro-2-iodophenyl)-6-methoxybenzimidazol-2-amine
CID 79761482
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077914
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
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-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine (CID 79766831) is 5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1-c1ccc(F)cc1I.
What is the InChIKey of 5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine?
The InChIKey is DMWKULANLASBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2IN3/c14-7-4-10-12(5-8(7)16)20(13(18)19-10)11-2-1-6(15)3-9(11)17/h1-5H,(H2,18,19).
What are the key properties of 5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine has a molecular weight of 450.02 g/mol, XLogP of 4.25, 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-(4-fluoro-2-iodophenyl)benzimidazol-2-amine is sourced from PubChem (CID 79766831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).