ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate

C14H16N4O4 — CID 4307729

IUPACethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1/N=N/c1ccc(OC)cc1OC
InChIInChI=1S/C14H16N4O4/c1-4-22-14(19)12-13(16-8-15-12)18-17-10-6-5-9(20-2)7-11(10)21-3/h5-8H,4H2,1-3H3,(H,15,16)/b18-17+
InChIKeyOUMBSDMBXRUAOY-ISLYRVAYSA-N
MW304.31 g/mol
LogP3.02
Rot. Bonds6

About ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate

ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate (PubChem CID 4307729) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate
PubChem CID4307729
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Nameethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1/N=N/c1ccc(OC)cc1OC
InChIInChI=1S/C14H16N4O4/c1-4-22-14(19)12-13(16-8-15-12)18-17-10-6-5-9(20-2)7-11(10)21-3/h5-8H,4H2,1-3H3,(H,15,16)/b18-17+
InChIKeyOUMBSDMBXRUAOY-ISLYRVAYSA-N
XLogP3.02
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(dimethylaminomethylideneamino)-1H-imidazole-5-carboxylate
CID 68724798
ethyl 2-(2,4-dimethoxyphenyl)iminoacetate
CID 101411260
ethyl 3-[(2,4-dimethoxyphenyl)methylamino]-1H-pyrrole-2-carboxylate
CID 67068490
ethyl 3-isothiocyanato-5-methoxy-1H-indole-2-carboxylate
CID 53337739
ethyl 4-(4-bromophenyl)-1H-imidazole-5-carboxylate
CID 95498236
4-O-[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2638962
butyl 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxylate
CID 135478670
2-O-[(2,5-dimethoxyphenyl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8572870
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331754
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
ethyl 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 9211613

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate (CID 4307729) is ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1/N=N/c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate?
The InChIKey is OUMBSDMBXRUAOY-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-4-22-14(19)12-13(16-8-15-12)18-17-10-6-5-9(20-2)7-11(10)21-3/h5-8H,4H2,1-3H3,(H,15,16)/b18-17+.
What are the key properties of ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate?
ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 4307729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).