ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate

C15H18N2O2 — CID 114203645

IUPACethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C15H18N2O2/c1-5-19-15(18)13-8-17(9-16-13)14-11(3)6-10(2)7-12(14)4/h6-9H,5H2,1-4H3
InChIKeyUZKMLRKYMYCNFH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.97
Rot. Bonds3

About ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate

ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate (PubChem CID 114203645) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
PubChem CID114203645
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C15H18N2O2/c1-5-19-15(18)13-8-17(9-16-13)14-11(3)6-10(2)7-12(14)4/h6-9H,5H2,1-4H3
InChIKeyUZKMLRKYMYCNFH-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(3-fluoro-4-methylphenyl)imidazole-4-carboxylate
CID 114203638
CID 88893252
CID 88893252
ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
CID 15069644
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
CID 11953753
2-[1-(2,4,6-trimethylphenyl)imidazol-4-yl]acetic acid
CID 82478421
ethyl 1-(2-cyano-3-methylphenyl)imidazole-4-carboxylate
CID 114203796
ethyl 1-(4-bromo-3-fluorophenyl)imidazole-4-carboxylate
CID 114203737
ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 114203723
ethyl 1-(5-bromo-2-cyanophenyl)imidazole-4-carboxylate
CID 114203807
ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate
CID 114203687
ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate
CID 166520574

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate (CID 114203645) is ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2c(C)cc(C)cc2C)cn1.
What is the InChIKey of ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate?
The InChIKey is UZKMLRKYMYCNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-5-19-15(18)13-8-17(9-16-13)14-11(3)6-10(2)7-12(14)4/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate?
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 114203645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).