1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid

C12H10BrN3O2 — CID 84645026

IUPAC1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCc1ccc2c(c1)nc1n(C)c(C(=O)O)c(Br)n21
InChIInChI=1S/C12H10BrN3O2/c1-6-3-4-8-7(5-6)14-12-15(2)9(11(17)18)10(13)16(8)12/h3-5H,1-2H3,(H,17,18)
InChIKeyJESCMTVQKGGMTL-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.60
Rot. Bonds1

About 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid

1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84645026) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84645026
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCc1ccc2c(c1)nc1n(C)c(C(=O)O)c(Br)n21
InChIInChI=1S/C12H10BrN3O2/c1-6-3-4-8-7(5-6)14-12-15(2)9(11(17)18)10(13)16(8)12/h3-5H,1-2H3,(H,17,18)
InChIKeyJESCMTVQKGGMTL-UHFFFAOYSA-N
XLogP2.60
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-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

1-bromo-3-methylimidazo[1,2-a]benzimidazole-2,6-dicarboxylic acid
CID 84646646
1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84646569
(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643893
2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84625789
2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84641631
6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84622077
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353
2-methyl-3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 103499832
2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84630754
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84645026) is 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid is Cc1ccc2c(c1)nc1n(C)c(C(=O)O)c(Br)n21.
What is the InChIKey of 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is JESCMTVQKGGMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-6-3-4-8-7(5-6)14-12-15(2)9(11(17)18)10(13)16(8)12/h3-5H,1-2H3,(H,17,18).
What are the key properties of 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 308.14 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84645026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).