1,2,5-trimethylimidazole-4-carboxylic acid

C7H10N2O2 — CID 82595358

IUPAC1,2,5-trimethylimidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(C)n1C
InChIInChI=1S/C7H10N2O2/c1-4-6(7(10)11)8-5(2)9(4)3/h1-3H3,(H,10,11)
InChIKeyXBJSECKIAQRFJZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.74
Rot. Bonds1

About 1,2,5-trimethylimidazole-4-carboxylic acid

1,2,5-trimethylimidazole-4-carboxylic acid (PubChem CID 82595358) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,2,5-trimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1,2,5-trimethylimidazole-4-carboxylic acid
PubChem CID82595358
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1,2,5-trimethylimidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(C)n1C
InChIInChI=1S/C7H10N2O2/c1-4-6(7(10)11)8-5(2)9(4)3/h1-3H3,(H,10,11)
InChIKeyXBJSECKIAQRFJZ-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethylimidazole-4-carboxylic acid?
The IUPAC name of 1,2,5-trimethylimidazole-4-carboxylic acid (CID 82595358) is 1,2,5-trimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 1,2,5-trimethylimidazole-4-carboxylic acid?
The canonical SMILES for 1,2,5-trimethylimidazole-4-carboxylic acid is Cc1nc(C(=O)O)c(C)n1C.
What is the InChIKey of 1,2,5-trimethylimidazole-4-carboxylic acid?
The InChIKey is XBJSECKIAQRFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-6(7(10)11)8-5(2)9(4)3/h1-3H3,(H,10,11).
What are the key properties of 1,2,5-trimethylimidazole-4-carboxylic acid?
1,2,5-trimethylimidazole-4-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 82595358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).