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

C13H6BrF4N3 — CID 66086895

IUPAC5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1cc(F)c(F)cc1F
InChIInChI=1S/C13H6BrF4N3/c14-5-1-10-12(3-6(5)15)21(13(19)20-10)11-4-8(17)7(16)2-9(11)18/h1-4H,(H2,19,20)
InChIKeyMMFQQBDMHJOMKT-UHFFFAOYSA-N
MW360.11 g/mol
LogP3.93
Rot. Bonds1

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

5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine (PubChem CID 66086895) has the molecular formula C13H6BrF4N3 and a molecular weight of 360.11 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
PubChem CID66086895
Molecular FormulaC13H6BrF4N3
Molecular Weight360.11 g/mol
Exact Mass358.97
IUPAC Name5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1-c1cc(F)c(F)cc1F
InChIInChI=1S/C13H6BrF4N3/c14-5-1-10-12(3-6(5)15)21(13(19)20-10)11-4-8(17)7(16)2-9(11)18/h1-4H,(H2,19,20)
InChIKeyMMFQQBDMHJOMKT-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.11
LogP ≤ 53.93
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
6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854258
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
5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 66088046
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
5-iodo-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66082790
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine (CID 66086895) is 5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1-c1cc(F)c(F)cc1F.
What is the InChIKey of 5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine?
The InChIKey is MMFQQBDMHJOMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF4N3/c14-5-1-10-12(3-6(5)15)21(13(19)20-10)11-4-8(17)7(16)2-9(11)18/h1-4H,(H2,19,20).
What are the key properties of 5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine has a molecular weight of 360.11 g/mol, XLogP of 3.93, 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-(2,4,5-trifluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 66086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).