2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine

C28H18N4OS2 — CID 141367292

IUPAC2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine
SMILESc1ccc(-c2cc3sc(-c4ccco4)c(-c4ncc[nH]4)c3c(-c3cccs3)c2-c2ccc[nH]2)nc1
InChIInChI=1S/C28H18N4OS2/c1-2-10-29-18(6-1)17-16-22-25(24(21-9-5-15-34-21)23(17)19-7-3-11-30-19)26(28-31-12-13-32-28)27(35-22)20-8-4-14-33-20/h1-16,30H,(H,31,32)
InChIKeyPKMMQNLABZNBEX-UHFFFAOYSA-N
MW490.61 g/mol
LogP8.34
Rot. Bonds5

About 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine

2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine (PubChem CID 141367292) has the molecular formula C28H18N4OS2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine
PubChem CID141367292
Molecular FormulaC28H18N4OS2
Molecular Weight490.61 g/mol
Exact Mass490.09
IUPAC Name2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine
SMILESc1ccc(-c2cc3sc(-c4ccco4)c(-c4ncc[nH]4)c3c(-c3cccs3)c2-c2ccc[nH]2)nc1
InChIInChI=1S/C28H18N4OS2/c1-2-10-29-18(6-1)17-16-22-25(24(21-9-5-15-34-21)23(17)19-7-3-11-30-19)26(28-31-12-13-32-28)27(35-22)20-8-4-14-33-20/h1-16,30H,(H,31,32)
InChIKeyPKMMQNLABZNBEX-UHFFFAOYSA-N
XLogP8.34
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine 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

6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde
CID 71524888
6-(furan-2-yl)-2-(2-thiophen-2-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 23025634
6-(furan-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 23025942
N-(2-amino-1-phenylethyl)-4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophene-2-carboxamide
CID 24804613
1-(1-benzothiophen-6-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone
CID 52935726
2-[1-(1-benzofuran-2-yl)-7-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-6-(2H-isoindol-1-yl)-2-benzothiophen-5-yl]-1H-benzimidazole
CID 53825994
2-[2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1-methylpyrrol-1-ium-1-yl]-5-naphthalen-2-yl-1H-imidazole
CID 54322246
1-(1-benzothiophen-5-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]ethanone
CID 58294188
2-[(2S)-pyrrolidin-2-yl]-5-[4-[7-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-4-yl]phenyl]-1H-imidazole
CID 68323895
N-(1-amino-3-phenylpropan-2-yl)-5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
CID 69103107
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indole
CID 69368831
3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide
CID 70315355

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine?
The IUPAC name of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine (CID 141367292) is 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine.
What is the SMILES notation for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine?
The canonical SMILES for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine is c1ccc(-c2cc3sc(-c4ccco4)c(-c4ncc[nH]4)c3c(-c3cccs3)c2-c2ccc[nH]2)nc1.
What is the InChIKey of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine?
The InChIKey is PKMMQNLABZNBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4OS2/c1-2-10-29-18(6-1)17-16-22-25(24(21-9-5-15-34-21)23(17)19-7-3-11-30-19)26(28-31-12-13-32-28)27(35-22)20-8-4-14-33-20/h1-16,30H,(H,31,32).
What are the key properties of 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine?
2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine has a molecular weight of 490.61 g/mol, XLogP of 8.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-benzothiophen-6-yl]pyridine is sourced from PubChem (CID 141367292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).