methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate

C9H14N2O2 — CID 21334856

IUPACmethyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(C)n1C
InChIInChI=1S/C9H14N2O2/c1-5-7-10-8(9(12)13-4)6(2)11(7)3/h5H2,1-4H3
InChIKeySFLKRUPXSDUODX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.08
Rot. Bonds2

About methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate

methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate (PubChem CID 21334856) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate
PubChem CID21334856
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namemethyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(C)n1C
InChIInChI=1S/C9H14N2O2/c1-5-7-10-8(9(12)13-4)6(2)11(7)3/h5H2,1-4H3
InChIKeySFLKRUPXSDUODX-UHFFFAOYSA-N
XLogP1.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1,5-dimethylimidazole-4-carboxylic acid
CID 83635681
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
CID 103544227
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate?
The IUPAC name of methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate (CID 21334856) is methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate?
The canonical SMILES for methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(C)n1C.
What is the InChIKey of methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate?
The InChIKey is SFLKRUPXSDUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-7-10-8(9(12)13-4)6(2)11(7)3/h5H2,1-4H3.
What are the key properties of methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate?
methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate is sourced from PubChem (CID 21334856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).