2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid

C13H13N3O2 — CID 84630754

IUPAC2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCc1c(CC(=O)O)n2c3ccccc3nc2n1C
InChIInChI=1S/C13H13N3O2/c1-8-11(7-12(17)18)16-10-6-4-3-5-9(10)14-13(16)15(8)2/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyYYJBHBJKTJMGSV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.76
Rot. Bonds2

About 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid

2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid (PubChem CID 84630754) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
PubChem CID84630754
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCc1c(CC(=O)O)n2c3ccccc3nc2n1C
InChIInChI=1S/C13H13N3O2/c1-8-11(7-12(17)18)16-10-6-4-3-5-9(10)14-13(16)15(8)2/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyYYJBHBJKTJMGSV-UHFFFAOYSA-N
XLogP1.76
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84638486
2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639
2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
CID 17035842
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
6-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 59232444
5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84636555
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid
CID 84647011
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid (CID 84630754) is 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid is Cc1c(CC(=O)O)n2c3ccccc3nc2n1C.
What is the InChIKey of 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The InChIKey is YYJBHBJKTJMGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-11(7-12(17)18)16-10-6-4-3-5-9(10)14-13(16)15(8)2/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid has a molecular weight of 243.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84630754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).