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

C8H12N2O2 — CID 83635681

IUPAC2-ethyl-1,5-dimethylimidazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(C)n1C
InChIInChI=1S/C8H12N2O2/c1-4-6-9-7(8(11)12)5(2)10(6)3/h4H2,1-3H3,(H,11,12)
InChIKeyFSUBTOYQTYZLAG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.99
Rot. Bonds2

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

2-ethyl-1,5-dimethylimidazole-4-carboxylic acid (PubChem CID 83635681) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1,5-dimethylimidazole-4-carboxylic acid
PubChem CID83635681
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-ethyl-1,5-dimethylimidazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(C)n1C
InChIInChI=1S/C8H12N2O2/c1-4-6-9-7(8(11)12)5(2)10(6)3/h4H2,1-3H3,(H,11,12)
InChIKeyFSUBTOYQTYZLAG-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-Methyl-1H-imidazole-4,5-dicarboxylic Acid
CID 152258
2-Propyl-1H-imidazole-4,5-dicarboxylic acid
CID 10236071
1-(2-Hydroxyethyl)imidazole-4,5-dicarboxylic acid
CID 3006669
1,4-Dimethyl-1H-imidazole-5-carboxylic acid
CID 12685485
ethyl 2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylate
CID 13897513
2-(difluoromethyl)-5H,6H,7H,8H-imidazo(1,2-a)pyridine-3-carboxylic acid
CID 125454598
1-Ethylimidazole-4,5-dicarboxylic acid
CID 135172
5-formyl-1-methyl-1H-imidazole-4-carboxylic acid
CID 82416717
2,5-dimethyl-1H-imidazole-4-carboxylic acid hydrochloride
CID 112758029
potassium 1,4-dimethyl-1H-imidazole-5-carboxylate
CID 137935374
lithium(1+) 3-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylate
CID 146049561
1-(2-methoxy-2-oxoethyl)-4-methyl-1H-imidazole-5-carboxylic acid hydrochloride
CID 146108130

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid (CID 83635681) is 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid is CCc1nc(C(=O)O)c(C)n1C.
What is the InChIKey of 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid?
The InChIKey is FSUBTOYQTYZLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-6-9-7(8(11)12)5(2)10(6)3/h4H2,1-3H3,(H,11,12).
What are the key properties of 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid?
2-ethyl-1,5-dimethylimidazole-4-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 2-ethyl-1,5-dimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 83635681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).