2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine

C12H13BrFN3 — CID 114707634

IUPAC2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1-c1ccc(F)c(Br)c1
InChIInChI=1S/C12H13BrFN3/c1-12(2,15)11-6-16-7-17(11)8-3-4-10(14)9(13)5-8/h3-7H,15H2,1-2H3
InChIKeyLQDWGPKYXIGTCV-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.97
Rot. Bonds2

About 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine

2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine (PubChem CID 114707634) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine
PubChem CID114707634
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1-c1ccc(F)c(Br)c1
InChIInChI=1S/C12H13BrFN3/c1-12(2,15)11-6-16-7-17(11)8-3-4-10(14)9(13)5-8/h3-7H,15H2,1-2H3
InChIKeyLQDWGPKYXIGTCV-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114705714
2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114706711
2-(3-pyridin-4-ylimidazol-4-yl)propan-2-amine
CID 114703697
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
CID 114703974
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
2-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114720765
4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 129250553
4-[1-amino-1-[3-(4-fluorophenyl)imidazol-4-yl]ethyl]-2-fluorobenzonitrile;dihydrochloride
CID 18629453
2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107590634
2-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]-1,1,1-trideuteriopropan-2-ol
CID 58349897

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine (CID 114707634) is 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1-c1ccc(F)c(Br)c1.
What is the InChIKey of 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine?
The InChIKey is LQDWGPKYXIGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-12(2,15)11-6-16-7-17(11)8-3-4-10(14)9(13)5-8/h3-7H,15H2,1-2H3.
What are the key properties of 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine?
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine has a molecular weight of 298.16 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114707634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).