2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid

C12H11N3O2 — CID 84625789

IUPAC2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid
SMILESCc1ccc2c(c1)nc1[nH]c(C)c(C(=O)O)n12
InChIInChI=1S/C12H11N3O2/c1-6-3-4-9-8(5-6)14-12-13-7(2)10(11(16)17)15(9)12/h3-5H,1-2H3,(H,13,14)(H,16,17)
InChIKeyJNUDFNKYSYXHAN-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.13
Rot. Bonds1

About 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid

2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid (PubChem CID 84625789) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid
PubChem CID84625789
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid
SMILESCc1ccc2c(c1)nc1[nH]c(C)c(C(=O)O)n12
InChIInChI=1S/C12H11N3O2/c1-6-3-4-9-8(5-6)14-12-13-7(2)10(11(16)17)15(9)12/h3-5H,1-2H3,(H,13,14)(H,16,17)
InChIKeyJNUDFNKYSYXHAN-UHFFFAOYSA-N
XLogP2.13
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84622077
1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645026
2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84643891
1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645044
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82563585
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353
3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294279
2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84641631
2-methyl-3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 103499832
1-bromo-3-methylimidazo[1,2-a]benzimidazole-2,6-dicarboxylic acid
CID 84646646
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid?
The IUPAC name of 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid (CID 84625789) is 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid is Cc1ccc2c(c1)nc1[nH]c(C)c(C(=O)O)n12.
What is the InChIKey of 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid?
The InChIKey is JNUDFNKYSYXHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-6-3-4-9-8(5-6)14-12-13-7(2)10(11(16)17)15(9)12/h3-5H,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid?
2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid is sourced from PubChem (CID 84625789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).