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

C14H9BrClF2N3 — CID 107593060

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
SMILESCc1cc(F)c(Br)cc1-n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H9BrClF2N3/c1-6-2-9(17)7(15)3-12(6)21-13-5-10(18)8(16)4-11(13)20-14(21)19/h2-5H,1H3,(H2,19,20)
InChIKeyIUJWIHFWAXDMSW-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.61
Rot. Bonds1

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

1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine (PubChem CID 107593060) has the molecular formula C14H9BrClF2N3 and a molecular weight of 372.60 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
PubChem CID107593060
Molecular FormulaC14H9BrClF2N3
Molecular Weight372.60 g/mol
Exact Mass370.96
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
SMILESCc1cc(F)c(Br)cc1-n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H9BrClF2N3/c1-6-2-9(17)7(15)3-12(6)21-13-5-10(18)8(16)4-11(13)20-14(21)19/h2-5H,1H3,(H2,19,20)
InChIKeyIUJWIHFWAXDMSW-UHFFFAOYSA-N
XLogP4.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 66088046
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077914
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine (CID 107593060) is 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine is Cc1cc(F)c(Br)cc1-n1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The InChIKey is IUJWIHFWAXDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2N3/c1-6-2-9(17)7(15)3-12(6)21-13-5-10(18)8(16)4-11(13)20-14(21)19/h2-5H,1H3,(H2,19,20).
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine has a molecular weight of 372.60 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 107593060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).