6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole

C13H7ClN2S2 — CID 80744714

IUPAC6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole
SMILESClc1ccc2nc(-c3cc4sccc4s3)[nH]c2c1
InChIInChI=1S/C13H7ClN2S2/c14-7-1-2-8-9(5-7)16-13(15-8)12-6-11-10(18-12)3-4-17-11/h1-6H,(H,15,16)
InChIKeyGMNOHQFBKQYAHO-UHFFFAOYSA-N
MW290.80 g/mol
LogP5.16
Rot. Bonds1

About 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole

6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole (PubChem CID 80744714) has the molecular formula C13H7ClN2S2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole
PubChem CID80744714
Molecular FormulaC13H7ClN2S2
Molecular Weight290.80 g/mol
Exact Mass289.97
IUPAC Name6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole
SMILESClc1ccc2nc(-c3cc4sccc4s3)[nH]c2c1
InChIInChI=1S/C13H7ClN2S2/c14-7-1-2-8-9(5-7)16-13(15-8)12-6-11-10(18-12)3-4-17-11/h1-6H,(H,15,16)
InChIKeyGMNOHQFBKQYAHO-UHFFFAOYSA-N
XLogP5.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.80
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole?
The IUPAC name of 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole (CID 80744714) is 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole is Clc1ccc2nc(-c3cc4sccc4s3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole?
The InChIKey is GMNOHQFBKQYAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2S2/c14-7-1-2-8-9(5-7)16-13(15-8)12-6-11-10(18-12)3-4-17-11/h1-6H,(H,15,16).
What are the key properties of 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole?
6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole has a molecular weight of 290.80 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole is sourced from PubChem (CID 80744714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).