3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid

C14H15BrN2O2 — CID 84605380

IUPAC3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid
SMILESCc1c(CCC(=O)O)nc(-c2cccc(Br)c2)n1C
InChIInChI=1S/C14H15BrN2O2/c1-9-12(6-7-13(18)19)16-14(17(9)2)10-4-3-5-11(15)8-10/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyQTZVDHPPZKLGAZ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.18
Rot. Bonds4

About 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid

3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid (PubChem CID 84605380) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid
PubChem CID84605380
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid
SMILESCc1c(CCC(=O)O)nc(-c2cccc(Br)c2)n1C
InChIInChI=1S/C14H15BrN2O2/c1-9-12(6-7-13(18)19)16-14(17(9)2)10-4-3-5-11(15)8-10/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyQTZVDHPPZKLGAZ-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-[2-(3-bromophenyl)-1,5-dimethylimidazol-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-[5-bromo-1-methyl-2-(3-methylphenyl)imidazol-4-yl]propanoic acid
CID 84605389
4-[2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethyl]-1,5-dimethyl-2-phenylimidazole
CID 123608217
2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 53263254
3-[5-methyl-1-(3-methylphenyl)triazol-4-yl]propanoic acid
CID 82198090
3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid
CID 84608660
3-[3-(3-bromophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 82274156
3-[1-(3-bromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 43327669
3-[2-(3-bromophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82308929
3-[4-bromo-5-(3-fluorophenyl)-1-methylpyrazol-3-yl]propanoic acid
CID 84607468
3-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63276901
3-[4-(2-carboxyethyl)-5-methyltriazol-1-yl]benzoic acid
CID 82197377
4-[4-(3-bromophenyl)pyrimidin-2-yl]butanoic acid
CID 116899863

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid (CID 84605380) is 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid is Cc1c(CCC(=O)O)nc(-c2cccc(Br)c2)n1C.
What is the InChIKey of 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid?
The InChIKey is QTZVDHPPZKLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-12(6-7-13(18)19)16-14(17(9)2)10-4-3-5-11(15)8-10/h3-5,8H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid?
3-[2-(3-bromophenyl)-1,5-dimethylimidazol-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-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid is sourced from PubChem (CID 84605380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).