6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid

C11H8ClN3O2 — CID 84633575

IUPAC6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)cn2c3ccc(Cl)cc3nc12
InChIInChI=1S/C11H8ClN3O2/c1-14-9(10(16)17)5-15-8-3-2-6(12)4-7(8)13-11(14)15/h2-5H,1H3,(H,16,17)
InChIKeyMPVQTHYUHYMDDK-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.18
Rot. Bonds1

About 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid

6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84633575) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84633575
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)cn2c3ccc(Cl)cc3nc12
InChIInChI=1S/C11H8ClN3O2/c1-14-9(10(16)17)5-15-8-3-2-6(12)4-7(8)13-11(14)15/h2-5H,1H3,(H,16,17)
InChIKeyMPVQTHYUHYMDDK-UHFFFAOYSA-N
XLogP2.18
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid
CID 84637569
6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84642106
7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84639283
5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84634205
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 54772628
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
CID 119906378
2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 82871862
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid
CID 115113963

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84633575) is 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid is Cn1c(C(=O)O)cn2c3ccc(Cl)cc3nc12.
What is the InChIKey of 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is MPVQTHYUHYMDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c1-14-9(10(16)17)5-15-8-3-2-6(12)4-7(8)13-11(14)15/h2-5H,1H3,(H,16,17).
What are the key properties of 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 249.66 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84633575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).