5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine

C13H7Br2F2N3 — CID 66086880

IUPAC5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1ccc(F)cc1Br
InChIInChI=1S/C13H7Br2F2N3/c14-7-4-10-12(5-9(7)17)20(13(18)19-10)11-2-1-6(16)3-8(11)15/h1-5H,(H2,18,19)
InChIKeyNWOHFQWWLJWIEQ-UHFFFAOYSA-N
MW403.02 g/mol
LogP4.41
Rot. Bonds1

About 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine

5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66086880) has the molecular formula C13H7Br2F2N3 and a molecular weight of 403.02 g/mol. Its IUPAC name is 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
PubChem CID66086880
Molecular FormulaC13H7Br2F2N3
Molecular Weight403.02 g/mol
Exact Mass400.90
IUPAC Name5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1ccc(F)cc1Br
InChIInChI=1S/C13H7Br2F2N3/c14-7-4-10-12(5-9(7)17)20(13(18)19-10)11-2-1-6(16)3-8(11)15/h1-5H,(H2,18,19)
InChIKeyNWOHFQWWLJWIEQ-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.02
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077914
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
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
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-trichlorophenyl)benzimidazol-2-amine
CID 66088046
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082
5-bromo-6-fluoro-1-thiophen-3-ylbenzimidazol-2-amine
CID 66349762
6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
CID 107601324
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine (CID 66086880) is 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1-c1ccc(F)cc1Br.
What is the InChIKey of 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is NWOHFQWWLJWIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F2N3/c14-7-4-10-12(5-9(7)17)20(13(18)19-10)11-2-1-6(16)3-8(11)15/h1-5H,(H2,18,19).
What are the key properties of 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine?
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 403.02 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66086880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).