3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid

C14H15BrN2O3 — CID 84611925

IUPAC3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid
SMILESCOc1ccc(Br)cc1-c1nc(CCC(=O)O)[nH]c1C
InChIInChI=1S/C14H15BrN2O3/c1-8-14(17-12(16-8)5-6-13(18)19)10-7-9(15)3-4-11(10)20-2/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFYDMGVFXBIQHRW-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.17
Rot. Bonds5

About 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid

3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid (PubChem CID 84611925) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid
PubChem CID84611925
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid
SMILESCOc1ccc(Br)cc1-c1nc(CCC(=O)O)[nH]c1C
InChIInChI=1S/C14H15BrN2O3/c1-8-14(17-12(16-8)5-6-13(18)19)10-7-9(15)3-4-11(10)20-2/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFYDMGVFXBIQHRW-UHFFFAOYSA-N
XLogP3.17
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid 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

3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 82488585
3-[5-bromo-4-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611926
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 82478385
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
3-(5-bromo-2-methoxyphenyl)-4-chloro-1H-pyrazole-5-carboxylic acid
CID 116858457
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]propanoic acid
CID 119911824
3-[5-bromo-4-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611260
3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301524
4-(5-bromo-2-methoxy-N-methylanilino)butanoic acid
CID 115218519
3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82132984
2-(5-bromo-2-methoxyphenyl)-3-(carboxymethyl)-1H-indole-5-carboxylic acid
CID 3633848

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid?
The IUPAC name of 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid (CID 84611925) is 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid?
The canonical SMILES for 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid is COc1ccc(Br)cc1-c1nc(CCC(=O)O)[nH]c1C.
What is the InChIKey of 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid?
The InChIKey is FYDMGVFXBIQHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8-14(17-12(16-8)5-6-13(18)19)10-7-9(15)3-4-11(10)20-2/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid?
3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid has a molecular weight of 339.19 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid is sourced from PubChem (CID 84611925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).