7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid

C12H10ClN3O2 — CID 84639283

IUPAC7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCc1cc(Cl)cc2c1nc1n(C)c(C(=O)O)cn21
InChIInChI=1S/C12H10ClN3O2/c1-6-3-7(13)4-8-10(6)14-12-15(2)9(11(17)18)5-16(8)12/h3-5H,1-2H3,(H,17,18)
InChIKeyWSTRIIMRPGSRBP-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.49
Rot. Bonds1

About 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid

7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84639283) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84639283
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCc1cc(Cl)cc2c1nc1n(C)c(C(=O)O)cn21
InChIInChI=1S/C12H10ClN3O2/c1-6-3-7(13)4-8-10(6)14-12-15(2)9(11(17)18)5-16(8)12/h3-5H,1-2H3,(H,17,18)
InChIKeyWSTRIIMRPGSRBP-UHFFFAOYSA-N
XLogP2.49
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84633575
5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84634205
2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84639038
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
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
CID 84621320
3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid
CID 21284130
6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid
CID 84641063
4-(3,5-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43340367
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
6-chloro-2,4-dimethylquinoline-8-carboxylic acid
CID 82574745
6-chloro-8-methyl-2-pentan-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82531008

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84639283) is 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid is Cc1cc(Cl)cc2c1nc1n(C)c(C(=O)O)cn21.
What is the InChIKey of 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is WSTRIIMRPGSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-6-3-7(13)4-8-10(6)14-12-15(2)9(11(17)18)5-16(8)12/h3-5H,1-2H3,(H,17,18).
What are the key properties of 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84639283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).