3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid

C12H9N3O4 — CID 84637569

IUPAC3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid
SMILESCn1c(C(=O)O)cn2c3cc(C(=O)O)ccc3nc12
InChIInChI=1S/C12H9N3O4/c1-14-9(11(18)19)5-15-8-4-6(10(16)17)2-3-7(8)13-12(14)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyAVECTNBUMHIIPZ-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.22
Rot. Bonds2

About 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid

3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid (PubChem CID 84637569) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid.

Molecular Properties

Compound Name3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid
PubChem CID84637569
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid
SMILESCn1c(C(=O)O)cn2c3cc(C(=O)O)ccc3nc12
InChIInChI=1S/C12H9N3O4/c1-14-9(11(18)19)5-15-8-4-6(10(16)17)2-3-7(8)13-12(14)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyAVECTNBUMHIIPZ-UHFFFAOYSA-N
XLogP1.22
TPSA96.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84642106
6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84633575
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84634205
7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84639283
2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
CID 83967736
2-amino-3-propylbenzimidazole-5-carboxylic acid
CID 84786648
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84638484
1-bromo-3-methylimidazo[1,2-a]benzimidazole-2,6-dicarboxylic acid
CID 84646646

Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid?
The IUPAC name of 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid (CID 84637569) is 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid.
What is the SMILES notation for 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid?
The canonical SMILES for 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid is Cn1c(C(=O)O)cn2c3cc(C(=O)O)ccc3nc12.
What is the InChIKey of 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid?
The InChIKey is AVECTNBUMHIIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c1-14-9(11(18)19)5-15-8-4-6(10(16)17)2-3-7(8)13-12(14)15/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid?
3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid is sourced from PubChem (CID 84637569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).