ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate

C20H19N3O2S — CID 145137227

IUPACethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc2c(cc(-c3ccc(-n4ccnc4)cc3)n2CC)s1
InChIInChI=1S/C20H19N3O2S/c1-3-23-16(11-18-17(23)12-19(26-18)20(24)25-4-2)14-5-7-15(8-6-14)22-10-9-21-13-22/h5-13H,3-4H2,1-2H3
InChIKeyYAIXXZBBZGGWEU-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.75
Rot. Bonds5

About ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate

ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate (PubChem CID 145137227) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate
PubChem CID145137227
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Nameethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc2c(cc(-c3ccc(-n4ccnc4)cc3)n2CC)s1
InChIInChI=1S/C20H19N3O2S/c1-3-23-16(11-18-17(23)12-19(26-18)20(24)25-4-2)14-5-7-15(8-6-14)22-10-9-21-13-22/h5-13H,3-4H2,1-2H3
InChIKeyYAIXXZBBZGGWEU-UHFFFAOYSA-N
XLogP4.75
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-imidazol-1-yl-2-methylphenyl)-4-[2-(4-propylphenyl)ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid
CID 145137209
ethyl 5-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-4-nitrothiophene-2-carboxylate
CID 145137231
methyl 5-(4-imidazol-1-yl-2-methylphenyl)-4-[(Z,2E)-2-prop-2-enylidenehept-3-enyl]thieno[3,2-b]pyrrole-2-carboxylate
CID 145137234
4-[(4-cyanophenyl)methyl]-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 122454328
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
5-(4-imidazol-1-yl-2-methylphenyl)-4-[(1-methyl-6-oxo-3-pyridinyl)methyl]thieno[3,2-b]pyrrole-2-carboxylic acid
CID 122454278
1-[3-ethyl-2-(4-imidazol-1-ylphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
CID 25269789
ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
CID 47083356
ethyl 3-imidazol-1-yl-5-nitrobenzoate
CID 139817791
ethyl 4-[4-(4-imidazol-1-ylbenzoyl)triazol-1-yl]benzoate
CID 1489100
ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
CID 47078318
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate (CID 145137227) is ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate is CCOC(=O)c1cc2c(cc(-c3ccc(-n4ccnc4)cc3)n2CC)s1.
What is the InChIKey of ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate?
The InChIKey is YAIXXZBBZGGWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-23-16(11-18-17(23)12-19(26-18)20(24)25-4-2)14-5-7-15(8-6-14)22-10-9-21-13-22/h5-13H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate?
ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate has a molecular weight of 365.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 145137227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).