5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one

C14H9N3OS — CID 135834134

IUPAC5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9N3OS/c18-13-9(7-8-5-6-19-14(8)17-13)12-15-10-3-1-2-4-11(10)16-12/h1-7H,(H,15,16)(H,17,18)
InChIKeyGLCZAEPCKGDWGT-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.13
Rot. Bonds1

About 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one

5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 135834134) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID135834134
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9N3OS/c18-13-9(7-8-5-6-19-14(8)17-13)12-15-10-3-1-2-4-11(10)16-12/h1-7H,(H,15,16)(H,17,18)
InChIKeyGLCZAEPCKGDWGT-UHFFFAOYSA-N
XLogP3.13
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one (CID 135834134) is 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sccc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is GLCZAEPCKGDWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c18-13-9(7-8-5-6-19-14(8)17-13)12-15-10-3-1-2-4-11(10)16-12/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 267.31 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 135834134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).