ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate

C14H16N2O2 — CID 14735438

IUPACethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(C)c1-c1ccc(C)cc1
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)12-13(16(3)9-15-12)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3
InChIKeyULCGLTWKPZKAEW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate

ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate (PubChem CID 14735438) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate
PubChem CID14735438
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(C)c1-c1ccc(C)cc1
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)12-13(16(3)9-15-12)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3
InChIKeyULCGLTWKPZKAEW-UHFFFAOYSA-N
XLogP2.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
CID 68709761
ethyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 71304242
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925
ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate
CID 11550156
ethyl 3-(4-methylphenyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 1497405
ethyl 5-bromo-1-butylimidazole-4-carboxylate
CID 15461785
ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate
CID 70278098
ethyl 5-(4-fluorophenyl)-1-propyltriazole-4-carboxylate
CID 103105470
ethyl 1-(2-aminoethyl)-5-(4-chlorophenyl)triazole-4-carboxylate
CID 103105629
ethyl 1-[(1S)-2-ethyl-2-hydroxy-1-phenylbutyl]-5-phenylimidazole-4-carboxylate
CID 59324725
ethyl 5-(4-aminophenyl)-1-butyltriazole-4-carboxylate
CID 103104793

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate (CID 14735438) is ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate is CCOC(=O)c1ncn(C)c1-c1ccc(C)cc1.
What is the InChIKey of ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate?
The InChIKey is ULCGLTWKPZKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-14(17)12-13(16(3)9-15-12)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate?
ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 14735438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).