1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine

C13H7BrClF2N3 — CID 66077914

IUPAC1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1-c1ccc(F)cc1Br
InChIInChI=1S/C13H7BrClF2N3/c14-7-3-6(16)1-2-11(7)20-12-5-9(17)8(15)4-10(12)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyBTNKZENGMTXQPC-UHFFFAOYSA-N
MW358.57 g/mol
LogP4.30
Rot. Bonds1

About 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine

1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine (PubChem CID 66077914) has the molecular formula C13H7BrClF2N3 and a molecular weight of 358.57 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
PubChem CID66077914
Molecular FormulaC13H7BrClF2N3
Molecular Weight358.57 g/mol
Exact Mass356.95
IUPAC Name1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1-c1ccc(F)cc1Br
InChIInChI=1S/C13H7BrClF2N3/c14-7-3-6(16)1-2-11(7)20-12-5-9(17)8(15)4-10(12)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyBTNKZENGMTXQPC-UHFFFAOYSA-N
XLogP4.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
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
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107791625

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine (CID 66077914) is 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1-c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The InChIKey is BTNKZENGMTXQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2N3/c14-7-3-6(16)1-2-11(7)20-12-5-9(17)8(15)4-10(12)19-13(20)18/h1-5H,(H2,18,19).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine has a molecular weight of 358.57 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66077914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).