2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid

C14H15BrN2O3 — CID 84611871

IUPAC2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCOc1c(C)cc(-c2nc(Br)[nH]c2CC(=O)O)cc1C
InChIInChI=1S/C14H15BrN2O3/c1-7-4-9(5-8(2)13(7)20-3)12-10(6-11(18)19)16-14(15)17-12/h4-5H,6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWISRHUDHBRPZNQ-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid

2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 84611871) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
PubChem CID84611871
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCOc1c(C)cc(-c2nc(Br)[nH]c2CC(=O)O)cc1C
InChIInChI=1S/C14H15BrN2O3/c1-7-4-9(5-8(2)13(7)20-3)12-10(6-11(18)19)16-14(15)17-12/h4-5H,6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWISRHUDHBRPZNQ-UHFFFAOYSA-N
XLogP3.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611862
2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 84606297
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
CID 117466785
2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
CID 95479005
2-[4-bromo-3-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 84611874
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
CID 117466771
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82306774
1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84611682
2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 114329432

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid (CID 84611871) is 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid is COc1c(C)cc(-c2nc(Br)[nH]c2CC(=O)O)cc1C.
What is the InChIKey of 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is WISRHUDHBRPZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-7-4-9(5-8(2)13(7)20-3)12-10(6-11(18)19)16-14(15)17-12/h4-5H,6H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid?
2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 339.19 g/mol, XLogP of 3.09, 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-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 84611871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).