4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide

C24H17FN4O2S — CID 122490967

IUPAC4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide
SMILESCC(=O)c1cc2c(cc(-c3ccc(-n4ccnc4)cc3F)n2-c2ccc(C(N)=O)cc2)s1
InChIInChI=1S/C24H17FN4O2S/c1-14(30)22-12-21-23(32-22)11-20(29(21)16-4-2-15(3-5-16)24(26)31)18-7-6-17(10-19(18)25)28-9-8-27-13-28/h2-13H,1H3,(H2,26,31)
InChIKeyYFJRJISRSAAHSX-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.99
Rot. Bonds5

About 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide

4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide (PubChem CID 122490967) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide
PubChem CID122490967
Molecular FormulaC24H17FN4O2S
Molecular Weight444.49 g/mol
Exact Mass444.11
IUPAC Name4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide
SMILESCC(=O)c1cc2c(cc(-c3ccc(-n4ccnc4)cc3F)n2-c2ccc(C(N)=O)cc2)s1
InChIInChI=1S/C24H17FN4O2S/c1-14(30)22-12-21-23(32-22)11-20(29(21)16-4-2-15(3-5-16)24(26)31)18-7-6-17(10-19(18)25)28-9-8-27-13-28/h2-13H,1H3,(H2,26,31)
InChIKeyYFJRJISRSAAHSX-UHFFFAOYSA-N
XLogP4.99
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide?
The IUPAC name of 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide (CID 122490967) is 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide.
What is the SMILES notation for 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide?
The canonical SMILES for 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide is CC(=O)c1cc2c(cc(-c3ccc(-n4ccnc4)cc3F)n2-c2ccc(C(N)=O)cc2)s1.
What is the InChIKey of 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide?
The InChIKey is YFJRJISRSAAHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c1-14(30)22-12-21-23(32-22)11-20(29(21)16-4-2-15(3-5-16)24(26)31)18-7-6-17(10-19(18)25)28-9-8-27-13-28/h2-13H,1H3,(H2,26,31).
What are the key properties of 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide?
4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide is sourced from PubChem (CID 122490967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).