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

C13H7Br2F2N3 — CID 102854258

IUPAC6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1-c1cc(Br)c(F)cc1F
InChIInChI=1S/C13H7Br2F2N3/c14-6-1-2-10-12(3-6)20(13(18)19-10)11-4-7(15)8(16)5-9(11)17/h1-5H,(H2,18,19)
InChIKeyAJMBEJBPTLHLRK-UHFFFAOYSA-N
MW403.02 g/mol
LogP4.41
Rot. Bonds1

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

6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine (PubChem CID 102854258) has the molecular formula C13H7Br2F2N3 and a molecular weight of 403.02 g/mol. Its IUPAC name is 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
PubChem CID102854258
Molecular FormulaC13H7Br2F2N3
Molecular Weight403.02 g/mol
Exact Mass400.90
IUPAC Name6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1-c1cc(Br)c(F)cc1F
InChIInChI=1S/C13H7Br2F2N3/c14-6-1-2-10-12(3-6)20(13(18)19-10)11-4-7(15)8(16)5-9(11)17/h1-5H,(H2,18,19)
InChIKeyAJMBEJBPTLHLRK-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

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
6-bromo-1-(2-bromo-4-methylphenyl)benzimidazol-2-amine
CID 65346927
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
CID 65347263
6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 107593137
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine (CID 102854258) is 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1-c1cc(Br)c(F)cc1F.
What is the InChIKey of 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine?
The InChIKey is AJMBEJBPTLHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F2N3/c14-6-1-2-10-12(3-6)20(13(18)19-10)11-4-7(15)8(16)5-9(11)17/h1-5H,(H2,18,19).
What are the key properties of 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine?
6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-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 6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 102854258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).