2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid

C15H17BrN2O2 — CID 84611188

IUPAC2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid
SMILESCC(C)c1ccc(-c2nc(Br)c(CC(=O)O)n2C)cc1
InChIInChI=1S/C15H17BrN2O2/c1-9(2)10-4-6-11(7-5-10)15-17-14(16)12(18(15)3)8-13(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyMIZOANQHTLVLHR-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.60
Rot. Bonds4

About 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid

2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid (PubChem CID 84611188) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid
PubChem CID84611188
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid
SMILESCC(C)c1ccc(-c2nc(Br)c(CC(=O)O)n2C)cc1
InChIInChI=1S/C15H17BrN2O2/c1-9(2)10-4-6-11(7-5-10)15-17-14(16)12(18(15)3)8-13(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyMIZOANQHTLVLHR-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic 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

2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol
CID 84605588
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
2-[1-methyl-4-(3-propan-2-ylphenyl)pyrazol-5-yl]acetic acid
CID 167863116
[5-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-3-methylimidazol-4-yl]methanamine
CID 84611572
3-[5-bromo-3-methyl-2-(2-methylphenyl)imidazol-4-yl]propanoic acid
CID 84605394
3-[2-bromo-4-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]propanoic acid
CID 84611218
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342
2-[4-methyl-2-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 84816847
2-[3-(3,4-dimethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062331
2-[2-(4-methylanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 2295082
2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82306414
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid (CID 84611188) is 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid is CC(C)c1ccc(-c2nc(Br)c(CC(=O)O)n2C)cc1.
What is the InChIKey of 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid?
The InChIKey is MIZOANQHTLVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9(2)10-4-6-11(7-5-10)15-17-14(16)12(18(15)3)8-13(19)20/h4-7,9H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid?
2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid has a molecular weight of 337.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 84611188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).