2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid

C12H11N3O3 — CID 82385288

IUPAC2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid
SMILESCc1[nH]c2nc(-c3ccco3)cn2c1CC(=O)O
InChIInChI=1S/C12H11N3O3/c1-7-9(5-11(16)17)15-6-8(14-12(15)13-7)10-3-2-4-18-10/h2-4,6H,5H2,1H3,(H,13,14)(H,16,17)
InChIKeyMDMJAHFLKPZPNE-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.86
Rot. Bonds3

About 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid

2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid (PubChem CID 82385288) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid
PubChem CID82385288
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid
SMILESCc1[nH]c2nc(-c3ccco3)cn2c1CC(=O)O
InChIInChI=1S/C12H11N3O3/c1-7-9(5-11(16)17)15-6-8(14-12(15)13-7)10-3-2-4-18-10/h2-4,6H,5H2,1H3,(H,13,14)(H,16,17)
InChIKeyMDMJAHFLKPZPNE-UHFFFAOYSA-N
XLogP1.86
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid
CID 82384672
ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464958
2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 82269761
2-(5-chloro-2-methyl-3H-imidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84639275
2-[3-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 82035969
2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596
2-[3-(furan-2-yl)-5-oxo-1H-1,2,4-triazol-4-yl]propanoic acid
CID 56861241
2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062345
6-(furan-2-yl)-2-methylpyrimidine-4-carboxylic acid
CID 121206884
2-[3-benzyl-5-(furan-2-yl)triazol-4-yl]acetic acid
CID 174977878
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid (CID 82385288) is 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid is Cc1[nH]c2nc(-c3ccco3)cn2c1CC(=O)O.
What is the InChIKey of 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The InChIKey is MDMJAHFLKPZPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-9(5-11(16)17)15-6-8(14-12(15)13-7)10-3-2-4-18-10/h2-4,6H,5H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid has a molecular weight of 245.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid is sourced from PubChem (CID 82385288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).