3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid

C12H11BrN2O2 — CID 82308012

IUPAC3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
SMILESCc1nc(C)n(-c2cccc(Br)c2)c1C(=O)O
InChIInChI=1S/C12H11BrN2O2/c1-7-11(12(16)17)15(8(2)14-7)10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,16,17)
InChIKeyOOUAWNSVUCSFBA-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.95
Rot. Bonds2

About 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid

3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid (PubChem CID 82308012) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
PubChem CID82308012
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
SMILESCc1nc(C)n(-c2cccc(Br)c2)c1C(=O)O
InChIInChI=1S/C12H11BrN2O2/c1-7-11(12(16)17)15(8(2)14-7)10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,16,17)
InChIKeyOOUAWNSVUCSFBA-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 95478982
1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124840
2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid
CID 82300567
3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294279
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
3-[1-(3-bromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 43327669
3-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576710
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
1-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576711
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
1-(3-bromophenyl)-3-methylfuro[3,2-d]pyrazole-5-carboxylic acid
CID 84604382

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid (CID 82308012) is 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid is Cc1nc(C)n(-c2cccc(Br)c2)c1C(=O)O.
What is the InChIKey of 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The InChIKey is OOUAWNSVUCSFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-11(12(16)17)15(8(2)14-7)10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid?
3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid has a molecular weight of 295.14 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 82308012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).