6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine

C13H7Br3FN3 — CID 107601324

IUPAC6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C13H7Br3FN3/c14-6-2-1-3-7(15)12(6)20-11-4-8(16)9(17)5-10(11)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyNDBLYCIOAVYMMG-UHFFFAOYSA-N
MW463.93 g/mol
LogP5.03
Rot. Bonds1

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

6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 107601324) has the molecular formula C13H7Br3FN3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
PubChem CID107601324
Molecular FormulaC13H7Br3FN3
Molecular Weight463.93 g/mol
Exact Mass460.82
IUPAC Name6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C13H7Br3FN3/c14-6-2-1-3-7(15)12(6)20-11-4-8(16)9(17)5-10(11)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyNDBLYCIOAVYMMG-UHFFFAOYSA-N
XLogP5.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082
5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
CID 116738105
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile
CID 107799622
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-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine (CID 107601324) is 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine is Nc1nc2cc(F)c(Br)cc2n1-c1c(Br)cccc1Br.
What is the InChIKey of 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is NDBLYCIOAVYMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3FN3/c14-6-2-1-3-7(15)12(6)20-11-4-8(16)9(17)5-10(11)19-13(20)18/h1-5H,(H2,18,19).
What are the key properties of 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine?
6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 463.93 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 107601324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).