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'}

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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).