4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid

C12H11BrN2O3 — CID 82308864

IUPAC4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(Br)cc1-c1nc(C)[nH]c1C(=O)O
InChIInChI=1S/C12H11BrN2O3/c1-6-14-10(11(15-6)12(16)17)8-5-7(13)3-4-9(8)18-2/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyOJKUHRJPDHCLLF-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.85
Rot. Bonds3

About 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid

4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid (PubChem CID 82308864) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
PubChem CID82308864
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(Br)cc1-c1nc(C)[nH]c1C(=O)O
InChIInChI=1S/C12H11BrN2O3/c1-6-14-10(11(15-6)12(16)17)8-5-7(13)3-4-9(8)18-2/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyOJKUHRJPDHCLLF-UHFFFAOYSA-N
XLogP2.85
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
3-(5-bromo-2-methoxyphenyl)-4-chloro-1H-pyrazole-5-carboxylic acid
CID 116858457
3-[4-(5-bromo-2-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]propanoic acid
CID 84611925
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284
6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
CID 24730144
2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475427
5-(5-bromo-2-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095064
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82135444
6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
CID 176682695
2-(5-bromo-2-methoxyphenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114360575

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid (CID 82308864) is 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid is COc1ccc(Br)cc1-c1nc(C)[nH]c1C(=O)O.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The InChIKey is OJKUHRJPDHCLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-6-14-10(11(15-6)12(16)17)8-5-7(13)3-4-9(8)18-2/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid has a molecular weight of 311.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82308864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).