2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine

C17H13N3S — CID 117164999

IUPAC2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESc1ccc(Cc2nc3cccnc3n2-c2cccs2)cc1
InChIInChI=1S/C17H13N3S/c1-2-6-13(7-3-1)12-15-19-14-8-4-10-18-17(14)20(15)16-9-5-11-21-16/h1-11H,12H2
InChIKeyYKZNXWYNFYTVTN-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.07
Rot. Bonds3

About 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine

2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine (PubChem CID 117164999) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
PubChem CID117164999
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESc1ccc(Cc2nc3cccnc3n2-c2cccs2)cc1
InChIInChI=1S/C17H13N3S/c1-2-6-13(7-3-1)12-15-19-14-8-4-10-18-17(14)20(15)16-9-5-11-21-16/h1-11H,12H2
InChIKeyYKZNXWYNFYTVTN-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117165008
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165156
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
CID 53022323
2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165030
2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165458
2-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165459
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117165359
4-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164600
3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine
CID 117165849
benzylbenzene;quinoline
CID 157081554
3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165093

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine (CID 117164999) is 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine is c1ccc(Cc2nc3cccnc3n2-c2cccs2)cc1.
What is the InChIKey of 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine?
The InChIKey is YKZNXWYNFYTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-6-13(7-3-1)12-15-19-14-8-4-10-18-17(14)20(15)16-9-5-11-21-16/h1-11H,12H2.
What are the key properties of 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine?
2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine has a molecular weight of 291.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).