2-thiophen-2-yl-1H-benzimidazole

C11H8N2S — CID 506600

IUPAC2-thiophen-2-yl-1H-benzimidazole
SMILESc1csc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C11H8N2S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
InChIKeyXXCGVPNWMZKOER-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 2-thiophen-2-yl-1H-benzimidazole

2-thiophen-2-yl-1H-benzimidazole (PubChem CID 506600) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-thiophen-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-thiophen-2-yl-1H-benzimidazole
PubChem CID506600
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2-thiophen-2-yl-1H-benzimidazole
SMILESc1csc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C11H8N2S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
InChIKeyXXCGVPNWMZKOER-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1H-benzimidazole?
The IUPAC name of 2-thiophen-2-yl-1H-benzimidazole (CID 506600) is 2-thiophen-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-thiophen-2-yl-1H-benzimidazole?
The canonical SMILES for 2-thiophen-2-yl-1H-benzimidazole is c1csc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-thiophen-2-yl-1H-benzimidazole?
The InChIKey is XXCGVPNWMZKOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13).
What are the key properties of 2-thiophen-2-yl-1H-benzimidazole?
2-thiophen-2-yl-1H-benzimidazole has a molecular weight of 200.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1H-benzimidazole is sourced from PubChem (CID 506600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).