3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid

C14H15BrN2O2 — CID 84605394

IUPAC3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid
SMILESCc1ccccc1-c1nc(Br)c(CCC(=O)O)n1C
InChIInChI=1S/C14H15BrN2O2/c1-9-5-3-4-6-10(9)14-16-13(15)11(17(14)2)7-8-12(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyNEVDWYIAHFOUHM-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.18
Rot. Bonds4

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

3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid (PubChem CID 84605394) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid
PubChem CID84605394
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid
SMILESCc1ccccc1-c1nc(Br)c(CCC(=O)O)n1C
InChIInChI=1S/C14H15BrN2O2/c1-9-5-3-4-6-10(9)14-16-13(15)11(17(14)2)7-8-12(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyNEVDWYIAHFOUHM-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-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-[1-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]propanoic acid
CID 82478955
3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 82478385
3-[4-bromo-5-(2-methoxyphenyl)-2-methylpyrazol-3-yl]propanoic acid
CID 84611906
2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid
CID 83850349
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 866142
3-[3-(2-methylphenyl)-1,2,4-triazol-1-yl]propanoic acid
CID 82289099
3-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195746
3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061512
3-[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82485015
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
3-[5-chloro-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
CID 115068462
2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid
CID 84611188

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid?
The IUPAC name of 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid (CID 84605394) is 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid is Cc1ccccc1-c1nc(Br)c(CCC(=O)O)n1C.
What is the InChIKey of 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid?
The InChIKey is NEVDWYIAHFOUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-5-3-4-6-10(9)14-16-13(15)11(17(14)2)7-8-12(18)19/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid?
3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid has a molecular weight of 323.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid is sourced from PubChem (CID 84605394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).