1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine

C13H6BrCl4N3 — CID 107791625

IUPAC1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(Cl)cc2n1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H6BrCl4N3/c14-5-1-2-9(12(18)11(5)17)21-10-4-7(16)6(15)3-8(10)20-13(21)19/h1-4H,(H2,19,20)
InChIKeyUBFBEDLGSIAHCA-UHFFFAOYSA-N
MW425.93 g/mol
LogP5.98
Rot. Bonds1

About 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine

1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine (PubChem CID 107791625) has the molecular formula C13H6BrCl4N3 and a molecular weight of 425.93 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
PubChem CID107791625
Molecular FormulaC13H6BrCl4N3
Molecular Weight425.93 g/mol
Exact Mass422.85
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(Cl)cc2n1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H6BrCl4N3/c14-5-1-2-9(12(18)11(5)17)21-10-4-7(16)6(15)3-8(10)20-13(21)19/h1-4H,(H2,19,20)
InChIKeyUBFBEDLGSIAHCA-UHFFFAOYSA-N
XLogP5.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.93
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107791621
1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 82766702
1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
CID 107791619
1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077914
1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 107791596
5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 66088046
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107575938
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine (CID 107791625) is 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine is Nc1nc2cc(Cl)c(Cl)cc2n1-c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine?
The InChIKey is UBFBEDLGSIAHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl4N3/c14-5-1-2-9(12(18)11(5)17)21-10-4-7(16)6(15)3-8(10)20-13(21)19/h1-4H,(H2,19,20).
What are the key properties of 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine?
1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine has a molecular weight of 425.93 g/mol, XLogP of 5.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine is sourced from PubChem (CID 107791625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).