2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine

C15H11N3S — CID 81136654

IUPAC2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3cc4ccccc4s3)nc2n1
InChIInChI=1S/C15H11N3S/c1-9-6-7-11-14(16-9)18-15(17-11)13-8-10-4-2-3-5-12(10)19-13/h2-8H,1H3,(H,16,17,18)
InChIKeyVYDHTLMLVPENSH-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.15
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine

2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 81136654) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID81136654
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3cc4ccccc4s3)nc2n1
InChIInChI=1S/C15H11N3S/c1-9-6-7-11-14(16-9)18-15(17-11)13-8-10-4-2-3-5-12(10)19-13/h2-8H,1H3,(H,16,17,18)
InChIKeyVYDHTLMLVPENSH-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine (CID 81136654) is 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(-c3cc4ccccc4s3)nc2n1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is VYDHTLMLVPENSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-9-6-7-11-14(16-9)18-15(17-11)13-8-10-4-2-3-5-12(10)19-13/h2-8H,1H3,(H,16,17,18).
What are the key properties of 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine?
2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 265.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81136654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).