ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate

C17H15N3O3S — CID 17039215

IUPACethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2cccs2)nc1NC(=O)c1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-2-23-17(22)13-15(19-14(18-13)12-9-6-10-24-12)20-16(21)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyMHYIPYSSWGBFGS-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.57
Rot. Bonds5

About ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate

ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate (PubChem CID 17039215) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate
PubChem CID17039215
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Nameethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2cccs2)nc1NC(=O)c1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-2-23-17(22)13-15(19-14(18-13)12-9-6-10-24-12)20-16(21)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyMHYIPYSSWGBFGS-UHFFFAOYSA-N
XLogP3.57
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
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ethyl thiophene-2-carboxylate;2-phenylthiophene
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ethyl 3-thiophen-2-ylbenzoate
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ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
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N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide
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ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate (CID 17039215) is ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(-c2cccs2)nc1NC(=O)c1ccccc1.
What is the InChIKey of ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate?
The InChIKey is MHYIPYSSWGBFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-2-23-17(22)13-15(19-14(18-13)12-9-6-10-24-12)20-16(21)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate?
ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 17039215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).