2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole

C17H11N3S2 — CID 134295980

IUPAC2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole
SMILESc1c[nH]c(-c2csc3cc(-c4nc5ccccc5[nH]4)sc23)c1
InChIInChI=1S/C17H11N3S2/c1-2-5-13-12(4-1)19-17(20-13)15-8-14-16(22-15)10(9-21-14)11-6-3-7-18-11/h1-9,18H,(H,19,20)
InChIKeyOJABFQGUZRNTNO-UHFFFAOYSA-N
MW321.43 g/mol
LogP5.50
Rot. Bonds2

About 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole

2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole (PubChem CID 134295980) has the molecular formula C17H11N3S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole
PubChem CID134295980
Molecular FormulaC17H11N3S2
Molecular Weight321.43 g/mol
Exact Mass321.04
IUPAC Name2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole
SMILESc1c[nH]c(-c2csc3cc(-c4nc5ccccc5[nH]4)sc23)c1
InChIInChI=1S/C17H11N3S2/c1-2-5-13-12(4-1)19-17(20-13)15-8-14-16(22-15)10(9-21-14)11-6-3-7-18-11/h1-9,18H,(H,19,20)
InChIKeyOJABFQGUZRNTNO-UHFFFAOYSA-N
XLogP5.50
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.43
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 137248275
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole
CID 163215611
2-(5-fluoro-1-benzothiophen-6-yl)-1H-benzimidazole
CID 168555424
2-dibenzothiophen-4-yl-1H-benzimidazole
CID 139436159
2-phenyl-1H-benzimidazole;zinc
CID 174639851
CID 121235374
CID 121235374
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole
CID 17423714
4-(1H-benzimidazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 141368913
2-(1H-pyrrol-2-yl)-3H-imidazo[4,5-c]pyridine
CID 137298700
2-[7-(1H-benzimidazol-2-yl)-6-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-3-quinazolin-2-yl-2-benzofuran-1-yl]-1,3-benzothiazole
CID 141340701
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole (CID 134295980) is 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole is c1c[nH]c(-c2csc3cc(-c4nc5ccccc5[nH]4)sc23)c1.
What is the InChIKey of 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole?
The InChIKey is OJABFQGUZRNTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3S2/c1-2-5-13-12(4-1)19-17(20-13)15-8-14-16(22-15)10(9-21-14)11-6-3-7-18-11/h1-9,18H,(H,19,20).
What are the key properties of 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole?
2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole has a molecular weight of 321.43 g/mol, XLogP of 5.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole is sourced from PubChem (CID 134295980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).