1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine

C11H11BrFN3 — CID 114704000

IUPAC1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(F)cc1Br
InChIInChI=1S/C11H11BrFN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(13)4-9(10)12/h2-7H,14H2,1H3
InChIKeyPVLABKZOTCROEF-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.79
Rot. Bonds2

About 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine

1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine (PubChem CID 114704000) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
PubChem CID114704000
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(F)cc1Br
InChIInChI=1S/C11H11BrFN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(13)4-9(10)12/h2-7H,14H2,1H3
InChIKeyPVLABKZOTCROEF-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 104942142
[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717791
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
CID 104942107
4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
CID 104943282
(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine
CID 104943472
(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine
CID 104942363
(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942927
1-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969435
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine (CID 114704000) is 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1-c1ccc(F)cc1Br.
What is the InChIKey of 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is PVLABKZOTCROEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(13)4-9(10)12/h2-7H,14H2,1H3.
What are the key properties of 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine?
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 284.13 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114704000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).