3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine

C18H19N3S — CID 117160981

IUPAC3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCSCC3)nc3cccnc32)cc1
InChIInChI=1S/C18H19N3S/c1-13-4-6-15(7-5-13)21-17(14-8-11-22-12-9-14)20-16-3-2-10-19-18(16)21/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyULIBEEFOVRXAOZ-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.34
Rot. Bonds2

About 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine

3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine (PubChem CID 117160981) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
PubChem CID117160981
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCSCC3)nc3cccnc32)cc1
InChIInChI=1S/C18H19N3S/c1-13-4-6-15(7-5-13)21-17(14-8-11-22-12-9-14)20-16-3-2-10-19-18(16)21/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyULIBEEFOVRXAOZ-UHFFFAOYSA-N
XLogP4.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160982
3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160375
3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162652
3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117163089
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
2-cyclobutyl-1-(4-methylphenyl)benzimidazole
CID 7996379
3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160861
3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161696
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161959
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161736

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine (CID 117160981) is 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(C3CCSCC3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is ULIBEEFOVRXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-4-6-15(7-5-13)21-17(14-8-11-22-12-9-14)20-16-3-2-10-19-18(16)21/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine?
3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 309.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).