N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine

C13H15BrFN3 — CID 107605144

IUPACN-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(Nc2c(F)cccc2Br)n1
InChIInChI=1S/C13H15BrFN3/c1-8(2)18-7-9(3)16-13(18)17-12-10(14)5-4-6-11(12)15/h4-8H,1-3H3,(H,16,17)
InChIKeyXNGGTTPRWWAODP-UHFFFAOYSA-N
MW312.19 g/mol
LogP4.42
Rot. Bonds3

About N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine

N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine (PubChem CID 107605144) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
PubChem CID107605144
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC NameN-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(Nc2c(F)cccc2Br)n1
InChIInChI=1S/C13H15BrFN3/c1-8(2)18-7-9(3)16-13(18)17-12-10(14)5-4-6-11(12)15/h4-8H,1-3H3,(H,16,17)
InChIKeyXNGGTTPRWWAODP-UHFFFAOYSA-N
XLogP4.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106582300
N-(2-chloro-6-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106582325
N-(3-fluoro-4-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106559433
N-(2,5-dibromophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106566391
N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106556313
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574062
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106583334
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106563756
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine
CID 106555167
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
CID 107605154
N-(2-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106555707

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine (CID 107605144) is N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine is Cc1cn(C(C)C)c(Nc2c(F)cccc2Br)n1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The InChIKey is XNGGTTPRWWAODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-8(2)18-7-9(3)16-13(18)17-12-10(14)5-4-6-11(12)15/h4-8H,1-3H3,(H,16,17).
What are the key properties of N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine has a molecular weight of 312.19 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 107605144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).