6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine

C15H13BrFN3 — CID 116738051

IUPAC6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
SMILESCc1ccc(C)c(-n2c(N)nc3cc(F)c(Br)cc32)c1
InChIInChI=1S/C15H13BrFN3/c1-8-3-4-9(2)13(5-8)20-14-6-10(16)11(17)7-12(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19)
InChIKeyZIHBBRQBBAVVLR-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.13
Rot. Bonds1

About 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine

6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 116738051) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
PubChem CID116738051
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
SMILESCc1ccc(C)c(-n2c(N)nc3cc(F)c(Br)cc32)c1
InChIInChI=1S/C15H13BrFN3/c1-8-3-4-9(2)13(5-8)20-14-6-10(16)11(17)7-12(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19)
InChIKeyZIHBBRQBBAVVLR-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 82766702
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
CID 82766861
6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
CID 107601324
6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
CID 116738105
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine (CID 116738051) is 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine is Cc1ccc(C)c(-n2c(N)nc3cc(F)c(Br)cc32)c1.
What is the InChIKey of 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is ZIHBBRQBBAVVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-8-3-4-9(2)13(5-8)20-14-6-10(16)11(17)7-12(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19).
What are the key properties of 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine?
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 334.19 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116738051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).