6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine

C19H13N3OS — CID 23026114

IUPAC6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESc1csc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)c1
InChIInChI=1S/C19H13N3OS/c1-2-6-16-12(4-1)9-17(23-16)13-8-15-19(20-11-13)22-18(21-15)10-14-5-3-7-24-14/h1-9,11H,10H2,(H,20,21,22)
InChIKeyRITNLGKPQIYGNH-UHFFFAOYSA-N
MW331.40 g/mol
LogP5.02
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine

6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23026114) has the molecular formula C19H13N3OS and a molecular weight of 331.40 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID23026114
Molecular FormulaC19H13N3OS
Molecular Weight331.40 g/mol
Exact Mass331.08
IUPAC Name6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESc1csc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)c1
InChIInChI=1S/C19H13N3OS/c1-2-6-16-12(4-1)9-17(23-16)13-8-15-19(20-11-13)22-18(21-15)10-14-5-3-7-24-14/h1-9,11H,10H2,(H,20,21,22)
InChIKeyRITNLGKPQIYGNH-UHFFFAOYSA-N
XLogP5.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CID 162675169
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
CID 44534779
[2-[7-Methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
CID 45488541
N-(3-hydroxy-2,2-dimethylpropyl)-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxamide
CID 76310924
5-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxylic acid
CID 76310926
5-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxylic acid
CID 76310927
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-(3-methylbutyl)thiophene-2-carboxamide
CID 76314564
N-(2-methoxyethyl)-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxamide
CID 76318142
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 76321826
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxamide
CID 76321827
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methylbutyl)thiophene-2-carboxamide
CID 76325462

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine (CID 23026114) is 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine is c1csc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is RITNLGKPQIYGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS/c1-2-6-16-12(4-1)9-17(23-16)13-8-15-19(20-11-13)22-18(21-15)10-14-5-3-7-24-14/h1-9,11H,10H2,(H,20,21,22).
What are the key properties of 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine?
6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 331.40 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23026114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).