2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine

C11H11BrFN3 — CID 82559780

IUPAC2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
SMILESNCCn1ccnc1-c1cc(F)cc(Br)c1
InChIInChI=1S/C11H11BrFN3/c12-9-5-8(6-10(13)7-9)11-15-2-4-16(11)3-1-14/h2,4-7H,1,3,14H2
InChIKeyOOMFQTDBRZUNRP-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.41
Rot. Bonds3

About 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine

2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine (PubChem CID 82559780) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
PubChem CID82559780
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
SMILESNCCn1ccnc1-c1cc(F)cc(Br)c1
InChIInChI=1S/C11H11BrFN3/c12-9-5-8(6-10(13)7-9)11-15-2-4-16(11)3-1-14/h2,4-7H,1,3,14H2
InChIKeyOOMFQTDBRZUNRP-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559838
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 79700240
2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560852
2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole
CID 82562364
2-[2-(3,4-dichlorophenyl)imidazol-1-yl]ethanamine
CID 82559612
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
CID 82562114
3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82562393
[5-(3-bromo-5-fluorophenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593704
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
CID 82562319
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine (CID 82559780) is 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine is NCCn1ccnc1-c1cc(F)cc(Br)c1.
What is the InChIKey of 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine?
The InChIKey is OOMFQTDBRZUNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c12-9-5-8(6-10(13)7-9)11-15-2-4-16(11)3-1-14/h2,4-7H,1,3,14H2.
What are the key properties of 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine?
2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine has a molecular weight of 284.13 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 82559780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).