ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate

C14H17N3O3 — CID 12666140

IUPACethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(Cc2ccc(OC)cc2)c1N
InChIInChI=1S/C14H17N3O3/c1-3-20-14(18)12-13(15)17(9-16-12)8-10-4-6-11(19-2)7-5-10/h4-7,9H,3,8,15H2,1-2H3
InChIKeyGFFYZYSERLYMTG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.70
Rot. Bonds5

About ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate

ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate (PubChem CID 12666140) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
PubChem CID12666140
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(Cc2ccc(OC)cc2)c1N
InChIInChI=1S/C14H17N3O3/c1-3-20-14(18)12-13(15)17(9-16-12)8-10-4-6-11(19-2)7-5-10/h4-7,9H,3,8,15H2,1-2H3
InChIKeyGFFYZYSERLYMTG-UHFFFAOYSA-N
XLogP1.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-[(4-cyanophenyl)methyl]imidazole-4-carboxylate
CID 62268800
ethyl 5-amino-1-[(3-chlorophenyl)methyl]imidazole-4-carboxylate
CID 55086211
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517680
methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
CID 154942266
ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82874465
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 1206883
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate
CID 162684166
ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 53418332
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
ethyl 5-amino-1-(3-bromo-5-methoxyphenyl)imidazole-4-carboxylate
CID 82858936

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate (CID 12666140) is ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate is CCOC(=O)c1ncn(Cc2ccc(OC)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate?
The InChIKey is GFFYZYSERLYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-20-14(18)12-13(15)17(9-16-12)8-10-4-6-11(19-2)7-5-10/h4-7,9H,3,8,15H2,1-2H3.
What are the key properties of ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate?
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 12666140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).