methyl 2,4,5-trimethylimidazole-1-carboxylate

C8H12N2O2 — CID 59932873

IUPACmethyl 2,4,5-trimethylimidazole-1-carboxylate
SMILESCOC(=O)n1c(C)nc(C)c1C
InChIInChI=1S/C8H12N2O2/c1-5-6(2)10(7(3)9-5)8(11)12-4/h1-4H3
InChIKeyFAMSRZKYEVAMIQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.42
Rot. Bonds

About methyl 2,4,5-trimethylimidazole-1-carboxylate

methyl 2,4,5-trimethylimidazole-1-carboxylate (PubChem CID 59932873) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl 2,4,5-trimethylimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,4,5-trimethylimidazole-1-carboxylate
PubChem CID59932873
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl 2,4,5-trimethylimidazole-1-carboxylate
SMILESCOC(=O)n1c(C)nc(C)c1C
InChIInChI=1S/C8H12N2O2/c1-5-6(2)10(7(3)9-5)8(11)12-4/h1-4H3
InChIKeyFAMSRZKYEVAMIQ-UHFFFAOYSA-N
XLogP1.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,4,5-trimethylimidazole-1-carboxylate?
The IUPAC name of methyl 2,4,5-trimethylimidazole-1-carboxylate (CID 59932873) is methyl 2,4,5-trimethylimidazole-1-carboxylate.
What is the SMILES notation for methyl 2,4,5-trimethylimidazole-1-carboxylate?
The canonical SMILES for methyl 2,4,5-trimethylimidazole-1-carboxylate is COC(=O)n1c(C)nc(C)c1C.
What is the InChIKey of methyl 2,4,5-trimethylimidazole-1-carboxylate?
The InChIKey is FAMSRZKYEVAMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-6(2)10(7(3)9-5)8(11)12-4/h1-4H3.
What are the key properties of methyl 2,4,5-trimethylimidazole-1-carboxylate?
methyl 2,4,5-trimethylimidazole-1-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4,5-trimethylimidazole-1-carboxylate is sourced from PubChem (CID 59932873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).