2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid

C13H10BrN3O2 — CID 103097572

IUPAC2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid
SMILESCn1c(C(=O)O)cn2cc(-c3cccc(Br)c3)nc12
InChIInChI=1S/C13H10BrN3O2/c1-16-11(12(18)19)7-17-6-10(15-13(16)17)8-3-2-4-9(14)5-8/h2-7H,1H3,(H,18,19)
InChIKeyDIEHHDUIYLIXLM-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.80
Rot. Bonds2

About 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid

2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid (PubChem CID 103097572) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid
PubChem CID103097572
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid
SMILESCn1c(C(=O)O)cn2cc(-c3cccc(Br)c3)nc12
InChIInChI=1S/C13H10BrN3O2/c1-16-11(12(18)19)7-17-6-10(15-13(16)17)8-3-2-4-9(14)5-8/h2-7H,1H3,(H,18,19)
InChIKeyDIEHHDUIYLIXLM-UHFFFAOYSA-N
XLogP2.80
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 90478004
2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole
CID 3482371
2-(3-bromophenyl)imidazo[1,2-a]pyridine;ethane
CID 123472664
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757030
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
4-(3-bromophenyl)-1-methylimidazole
CID 54081748
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301
3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride
CID 82371429
4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid (CID 103097572) is 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid is Cn1c(C(=O)O)cn2cc(-c3cccc(Br)c3)nc12.
What is the InChIKey of 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid?
The InChIKey is DIEHHDUIYLIXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c1-16-11(12(18)19)7-17-6-10(15-13(16)17)8-3-2-4-9(14)5-8/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid?
2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid has a molecular weight of 320.15 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid is sourced from PubChem (CID 103097572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).