1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine

C13H6BrCl2F2N3 — CID 107791596

IUPAC1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H6BrCl2F2N3/c14-5-1-4-8(10(16)9(5)15)21-12-7(20-13(21)19)3-2-6(17)11(12)18/h1-4H,(H2,19,20)
InChIKeyHSKSDSHEJVDAFQ-UHFFFAOYSA-N
MW393.02 g/mol
LogP4.96
Rot. Bonds1

About 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine

1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine (PubChem CID 107791596) has the molecular formula C13H6BrCl2F2N3 and a molecular weight of 393.02 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine
PubChem CID107791596
Molecular FormulaC13H6BrCl2F2N3
Molecular Weight393.02 g/mol
Exact Mass390.91
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H6BrCl2F2N3/c14-5-1-4-8(10(16)9(5)15)21-12-7(20-13(21)19)3-2-6(17)11(12)18/h1-4H,(H2,19,20)
InChIKeyHSKSDSHEJVDAFQ-UHFFFAOYSA-N
XLogP4.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.02
LogP ≤ 54.96
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)-7-chlorobenzimidazol-2-amine
CID 107791619
1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 62532885
1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107791625
1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107791621
1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine
CID 82859399
6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 62531539
6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645393
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 81281428
4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile
CID 62531364
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 62531537
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine (CID 107791596) is 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine is Nc1nc2ccc(F)c(F)c2n1-c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine?
The InChIKey is HSKSDSHEJVDAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2F2N3/c14-5-1-4-8(10(16)9(5)15)21-12-7(20-13(21)19)3-2-6(17)11(12)18/h1-4H,(H2,19,20).
What are the key properties of 1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine?
1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine has a molecular weight of 393.02 g/mol, XLogP of 4.96, 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)-6,7-difluorobenzimidazol-2-amine is sourced from PubChem (CID 107791596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).