1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine

C15H12BrFIN3 — CID 81287131

IUPAC1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCCc1cc(Br)ccc1-n1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C15H12BrFIN3/c1-2-8-5-9(16)3-4-13(8)21-14-6-10(17)11(18)7-12(14)20-15(21)19/h3-7H,2H2,1H3,(H2,19,20)
InChIKeyYMFJJWTWVDYDAR-UHFFFAOYSA-N
MW460.09 g/mol
LogP4.68
Rot. Bonds2

About 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine

1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 81287131) has the molecular formula C15H12BrFIN3 and a molecular weight of 460.09 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID81287131
Molecular FormulaC15H12BrFIN3
Molecular Weight460.09 g/mol
Exact Mass458.92
IUPAC Name1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCCc1cc(Br)ccc1-n1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C15H12BrFIN3/c1-2-8-5-9(16)3-4-13(8)21-14-6-10(17)11(18)7-12(14)20-15(21)19/h3-7H,2H2,1H3,(H2,19,20)
InChIKeyYMFJJWTWVDYDAR-UHFFFAOYSA-N
XLogP4.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.09
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine
CID 81288933
1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107791621
5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66077324
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100981
1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598230
1-(4-bromo-2-chlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598406
[5-amino-1-(4-bromo-2-ethylphenyl)benzimidazol-2-yl]methanol
CID 81289490
1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101772
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 81287131) is 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine is CCc1cc(Br)ccc1-n1c(N)nc2cc(I)c(F)cc21.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is YMFJJWTWVDYDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFIN3/c1-2-8-5-9(16)3-4-13(8)21-14-6-10(17)11(18)7-12(14)20-15(21)19/h3-7H,2H2,1H3,(H2,19,20).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 460.09 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 81287131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).