ethyl 5-acetamido-3-phenylimidazole-4-carboxylate

C14H15N3O3 — CID 12955184

IUPACethyl 5-acetamido-3-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)ncn1-c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)12-13(16-10(2)18)15-9-17(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyVKZKWBCUEIBUMH-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.01
Rot. Bonds4

About ethyl 5-acetamido-3-phenylimidazole-4-carboxylate

ethyl 5-acetamido-3-phenylimidazole-4-carboxylate (PubChem CID 12955184) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 5-acetamido-3-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetamido-3-phenylimidazole-4-carboxylate
PubChem CID12955184
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 5-acetamido-3-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)ncn1-c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)12-13(16-10(2)18)15-9-17(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyVKZKWBCUEIBUMH-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-acetamido-3-phenylimidazole-4-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 1-phenylbenzimidazole-5-carboxylate
CID 175878732
ethyl 1-phenyl-5-[(2-sulfanylacetyl)amino]imidazole-4-carboxylate
CID 88972654
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
diethyl 3-hydroxy-1-phenylpyrrole-2,4-dicarboxylate
CID 71370863
ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 3-acetamido-1-methylpyrazole-4-carboxylate
CID 11572025
ethyl 3-(3,4-dichlorophenyl)-5-methylimidazole-4-carboxylate
CID 69038701
ethyl 5-(benzoylcarbamothioylamino)-1-phenylpyrazole-3-carboxylate
CID 59001357
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-3-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-acetamido-3-phenylimidazole-4-carboxylate (CID 12955184) is ethyl 5-acetamido-3-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetamido-3-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetamido-3-phenylimidazole-4-carboxylate is CCOC(=O)c1c(NC(C)=O)ncn1-c1ccccc1.
What is the InChIKey of ethyl 5-acetamido-3-phenylimidazole-4-carboxylate?
The InChIKey is VKZKWBCUEIBUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-14(19)12-13(16-10(2)18)15-9-17(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 5-acetamido-3-phenylimidazole-4-carboxylate?
ethyl 5-acetamido-3-phenylimidazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-3-phenylimidazole-4-carboxylate is sourced from PubChem (CID 12955184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).