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

C8H12N2O3 — CID 13085886

IUPACmethyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate
SMILESCOC(=O)n1c(C)nc(C)c1OC
InChIInChI=1S/C8H12N2O3/c1-5-7(12-3)10(6(2)9-5)8(11)13-4/h1-4H3
InChIKeyCSWNLRKFGWFSBW-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.12
Rot. Bonds1

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

methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate (PubChem CID 13085886) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate
PubChem CID13085886
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate
SMILESCOC(=O)n1c(C)nc(C)c1OC
InChIInChI=1S/C8H12N2O3/c1-5-7(12-3)10(6(2)9-5)8(11)13-4/h1-4H3
InChIKeyCSWNLRKFGWFSBW-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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate?
The IUPAC name of methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate (CID 13085886) is methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate.
What is the SMILES notation for methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate?
The canonical SMILES for methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate is COC(=O)n1c(C)nc(C)c1OC.
What is the InChIKey of methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate?
The InChIKey is CSWNLRKFGWFSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-7(12-3)10(6(2)9-5)8(11)13-4/h1-4H3.
What are the key properties of methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate?
methyl 5-methoxy-2,4-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 5-methoxy-2,4-dimethylimidazole-1-carboxylate is sourced from PubChem (CID 13085886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).