2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine

C12H12BrF2N3O — CID 84609274

IUPAC2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCOc1cc(F)c(-c2nc(Br)[nH]c2CCN)cc1F
InChIInChI=1S/C12H12BrF2N3O/c1-19-10-5-7(14)6(4-8(10)15)11-9(2-3-16)17-12(13)18-11/h4-5H,2-3,16H2,1H3,(H,17,18)
InChIKeyWGGDZYVOPCATOH-UHFFFAOYSA-N
MW332.15 g/mol
LogP2.63
Rot. Bonds4

About 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine

2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 84609274) has the molecular formula C12H12BrF2N3O and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID84609274
Molecular FormulaC12H12BrF2N3O
Molecular Weight332.15 g/mol
Exact Mass331.01
IUPAC Name2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCOc1cc(F)c(-c2nc(Br)[nH]c2CCN)cc1F
InChIInChI=1S/C12H12BrF2N3O/c1-19-10-5-7(14)6(4-8(10)15)11-9(2-3-16)17-12(13)18-11/h4-5H,2-3,16H2,1H3,(H,17,18)
InChIKeyWGGDZYVOPCATOH-UHFFFAOYSA-N
XLogP2.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine 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

2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84608942
2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 116897723
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
1-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84605929
[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605935
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
2-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611862
4-bromo-3-(2,5-difluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 116858219
2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864535
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82291070
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine (CID 84609274) is 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine is COc1cc(F)c(-c2nc(Br)[nH]c2CCN)cc1F.
What is the InChIKey of 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is WGGDZYVOPCATOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2N3O/c1-19-10-5-7(14)6(4-8(10)15)11-9(2-3-16)17-12(13)18-11/h4-5H,2-3,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 332.15 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 84609274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).