2-(4,5-dimethylimidazol-1-yl)acetic acid

C7H10N2O2 — CID 45082086

IUPAC2-(4,5-dimethylimidazol-1-yl)acetic acid
SMILESCc1ncn(CC(=O)O)c1C
InChIInChI=1S/C7H10N2O2/c1-5-6(2)9(4-8-5)3-7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKeyKMUIHDBETHWZBC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.58
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)acetic acid

2-(4,5-dimethylimidazol-1-yl)acetic acid (PubChem CID 45082086) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)acetic acid
PubChem CID45082086
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(4,5-dimethylimidazol-1-yl)acetic acid
SMILESCc1ncn(CC(=O)O)c1C
InChIInChI=1S/C7H10N2O2/c1-5-6(2)9(4-8-5)3-7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKeyKMUIHDBETHWZBC-UHFFFAOYSA-N
XLogP0.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)acetic acid (CID 45082086) is 2-(4,5-dimethylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)acetic acid is Cc1ncn(CC(=O)O)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)acetic acid?
The InChIKey is KMUIHDBETHWZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-6(2)9(4-8-5)3-7(10)11/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)acetic acid?
2-(4,5-dimethylimidazol-1-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)acetic acid is sourced from PubChem (CID 45082086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).