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

C14H10N4OS — CID 135839372

IUPAC4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
SMILESNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
InChIInChI=1S/C14H10N4OS/c15-11-7-5-6-20-14(7)18-13(19)10(11)12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H,16,17)(H3,15,18,19)
InChIKeyQFTKAOIMHAWUBL-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.72
Rot. Bonds1

About 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one

4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 135839372) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID135839372
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
SMILESNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
InChIInChI=1S/C14H10N4OS/c15-11-7-5-6-20-14(7)18-13(19)10(11)12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H,16,17)(H3,15,18,19)
InChIKeyQFTKAOIMHAWUBL-UHFFFAOYSA-N
XLogP2.72
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one (CID 135839372) is 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one is Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12.
What is the InChIKey of 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is QFTKAOIMHAWUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-11-7-5-6-20-14(7)18-13(19)10(11)12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H,16,17)(H3,15,18,19).
What are the key properties of 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 282.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 135839372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).