2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid

C22H22N4O2S — CID 133053887

IUPAC2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2cc(-c3nc4ccccc4n3CCN3CCCCC3)sc12
InChIInChI=1S/C22H22N4O2S/c27-22(28)15-8-9-23-17-14-19(29-20(15)17)21-24-16-6-2-3-7-18(16)26(21)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,27,28)
InChIKeyFUHPYFIFOFNOHS-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.50
Rot. Bonds5

About 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid

2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 133053887) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID133053887
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2cc(-c3nc4ccccc4n3CCN3CCCCC3)sc12
InChIInChI=1S/C22H22N4O2S/c27-22(28)15-8-9-23-17-14-19(29-20(15)17)21-24-16-6-2-3-7-18(16)26(21)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,27,28)
InChIKeyFUHPYFIFOFNOHS-UHFFFAOYSA-N
XLogP4.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid with MolForge

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Related Compounds

1-(2-piperidin-1-ylethyl)-2-pyrazin-2-ylbenzimidazole
CID 134126828
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide
CID 35524627
7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one
CID 118731433
1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone
CID 17000352
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 118725842
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 10454082
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
CID 3265105

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 133053887) is 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2cc(-c3nc4ccccc4n3CCN3CCCCC3)sc12.
What is the InChIKey of 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is FUHPYFIFOFNOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c27-22(28)15-8-9-23-17-14-19(29-20(15)17)21-24-16-6-2-3-7-18(16)26(21)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,27,28).
What are the key properties of 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid?
2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 406.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 133053887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).