1-ethyl-4-methylimidazole-2-carboxylic acid

C7H10N2O2 — CID 53249542

IUPAC1-ethyl-4-methylimidazole-2-carboxylic acid
SMILESCCn1cc(C)nc1C(=O)O
InChIInChI=1S/C7H10N2O2/c1-3-9-4-5(2)8-6(9)7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKeyRQVVHROSMBFOKC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.91
Rot. Bonds2

About 1-ethyl-4-methylimidazole-2-carboxylic acid

1-ethyl-4-methylimidazole-2-carboxylic acid (PubChem CID 53249542) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-ethyl-4-methylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-methylimidazole-2-carboxylic acid
PubChem CID53249542
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-ethyl-4-methylimidazole-2-carboxylic acid
SMILESCCn1cc(C)nc1C(=O)O
InChIInChI=1S/C7H10N2O2/c1-3-9-4-5(2)8-6(9)7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKeyRQVVHROSMBFOKC-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylimidazole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-methylimidazole-2-carboxylic acid (CID 53249542) is 1-ethyl-4-methylimidazole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-methylimidazole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-methylimidazole-2-carboxylic acid is CCn1cc(C)nc1C(=O)O.
What is the InChIKey of 1-ethyl-4-methylimidazole-2-carboxylic acid?
The InChIKey is RQVVHROSMBFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-9-4-5(2)8-6(9)7(10)11/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 1-ethyl-4-methylimidazole-2-carboxylic acid?
1-ethyl-4-methylimidazole-2-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 53249542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).