5-ethyl-1,4-dimethylimidazole-2-carboxylic acid

C8H12N2O2 — CID 83846042

IUPAC5-ethyl-1,4-dimethylimidazole-2-carboxylic acid
SMILESCCc1c(C)nc(C(=O)O)n1C
InChIInChI=1S/C8H12N2O2/c1-4-6-5(2)9-7(8(11)12)10(6)3/h4H2,1-3H3,(H,11,12)
InChIKeyFBJTZQDWGBMKJX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.99
Rot. Bonds2

About 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid

5-ethyl-1,4-dimethylimidazole-2-carboxylic acid (PubChem CID 83846042) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1,4-dimethylimidazole-2-carboxylic acid
PubChem CID83846042
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-ethyl-1,4-dimethylimidazole-2-carboxylic acid
SMILESCCc1c(C)nc(C(=O)O)n1C
InChIInChI=1S/C8H12N2O2/c1-4-6-5(2)9-7(8(11)12)10(6)3/h4H2,1-3H3,(H,11,12)
InChIKeyFBJTZQDWGBMKJX-UHFFFAOYSA-N
XLogP0.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid
CID 83847442
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736
5-(diethylamino)-4-methyl-1,2,4-triazole-3-carboxylic acid
CID 28813724
5-ethyl-1,2,3-trimethylimidazol-3-ium-4-carboxylic acid
CID 87424778
2-ethyl-1,5-dimethylimidazole-4-carboxylic acid
CID 83635681
2-oxo-2-(1,4,5-trimethylimidazol-2-yl)acetic acid
CID 83391324
2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 175829777
4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
CID 83695194
1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone
CID 143368389
2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840857
1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid
CID 156705765
5-ethyl-4-iodo-1-methylpyrazole-3-carboxylic acid
CID 62268895

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid?
The IUPAC name of 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid (CID 83846042) is 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid is CCc1c(C)nc(C(=O)O)n1C.
What is the InChIKey of 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid?
The InChIKey is FBJTZQDWGBMKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-6-5(2)9-7(8(11)12)10(6)3/h4H2,1-3H3,(H,11,12).
What are the key properties of 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid?
5-ethyl-1,4-dimethylimidazole-2-carboxylic acid has a molecular weight of 168.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-dimethylimidazole-2-carboxylic acid is sourced from PubChem (CID 83846042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).