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

C8H12N2O3 — CID 45119434

IUPACmethyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate
SMILESCOC(=O)n1c(C)nc(OC)c1C
InChIInChI=1S/C8H12N2O3/c1-5-7(12-3)9-6(2)10(5)8(11)13-4/h1-4H3
InChIKeyXFRNFEPVFMIHOW-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.12
Rot. Bonds1

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

methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate (PubChem CID 45119434) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate
PubChem CID45119434
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate
SMILESCOC(=O)n1c(C)nc(OC)c1C
InChIInChI=1S/C8H12N2O3/c1-5-7(12-3)9-6(2)10(5)8(11)13-4/h1-4H3
InChIKeyXFRNFEPVFMIHOW-UHFFFAOYSA-N
XLogP1.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-methoxy-2,5-dimethylimidazole-1-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-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate
CID 22938837
(2-Ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate
CID 22938859
5-Methoxy-1,2,4-trimethylimidazole
CID 58059400
(3-Acetyl-2-butyl-5-methylimidazol-4-yl) acetate
CID 149898915
(1-Acetyl-2-butyl-5-methylimidazol-4-yl) acetate
CID 150107142
2,4-Dimethoxy-1,5-dimethylimidazole
CID 166934981
Methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate
CID 13085886
(2-Ethyl-5-methyl-1-propylimidazol-4-yl) carbonate
CID 22938836
(2-Ethyl-5-methyl-3-propylimidazol-4-yl) carbonate
CID 22938858

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate?
The IUPAC name of methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate (CID 45119434) is methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate?
The canonical SMILES for methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate is COC(=O)n1c(C)nc(OC)c1C.
What is the InChIKey of methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate?
The InChIKey is XFRNFEPVFMIHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-7(12-3)9-6(2)10(5)8(11)13-4/h1-4H3.
What are the key properties of methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate?
methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate is sourced from PubChem (CID 45119434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).