6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine

C16H15BrFN3 — CID 116738105

IUPAC6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
SMILESCC(C)c1ccccc1-n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C16H15BrFN3/c1-9(2)10-5-3-4-6-14(10)21-15-7-11(17)12(18)8-13(15)20-16(21)19/h3-9H,1-2H3,(H2,19,20)
InChIKeyJJXXSJAQXNXMNH-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.63
Rot. Bonds2

About 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine

6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine (PubChem CID 116738105) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
PubChem CID116738105
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
SMILESCC(C)c1ccccc1-n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C16H15BrFN3/c1-9(2)10-5-3-4-6-14(10)21-15-7-11(17)12(18)8-13(15)20-16(21)19/h3-9H,1-2H3,(H2,19,20)
InChIKeyJJXXSJAQXNXMNH-UHFFFAOYSA-N
XLogP4.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
CID 107601324
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051
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
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile
CID 107799622
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
1-(2-fluorophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003060
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine (CID 116738105) is 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine is CC(C)c1ccccc1-n1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine?
The InChIKey is JJXXSJAQXNXMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-9(2)10-5-3-4-6-14(10)21-15-7-11(17)12(18)8-13(15)20-16(21)19/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine?
6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine has a molecular weight of 348.22 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 116738105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).