2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid

C9H11N3O2 — CID 82402215

IUPAC2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid
SMILESCc1c(CC(=O)O)n(C)c2nccn12
InChIInChI=1S/C9H11N3O2/c1-6-7(5-8(13)14)11(2)9-10-3-4-12(6)9/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyXIOHCXBZTDJDCL-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.61
Rot. Bonds2

About 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid

2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid (PubChem CID 82402215) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid
PubChem CID82402215
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid
SMILESCc1c(CC(=O)O)n(C)c2nccn12
InChIInChI=1S/C9H11N3O2/c1-6-7(5-8(13)14)11(2)9-10-3-4-12(6)9/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyXIOHCXBZTDJDCL-UHFFFAOYSA-N
XLogP0.61
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid
CID 84708658
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
2-(5-bromo-3-methyltriazol-4-yl)acetic acid
CID 84787238
2-[1-(2,6-dibromo-4-methylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063655
2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83844831
2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid
CID 84658016
2-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83832770
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
2-(4-imidazo[1,2-c]pyrimidin-5-yl-2-pyridinyl)acetic acid
CID 82381517
2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83837011
2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid?
The IUPAC name of 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid (CID 82402215) is 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid?
The canonical SMILES for 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid is Cc1c(CC(=O)O)n(C)c2nccn12.
What is the InChIKey of 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid?
The InChIKey is XIOHCXBZTDJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-7(5-8(13)14)11(2)9-10-3-4-12(6)9/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid?
2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid has a molecular weight of 193.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid is sourced from PubChem (CID 82402215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).