4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C10H17N3S — CID 50979370

IUPAC4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCSCCC1(C)NCCc2[nH]cnc21
InChIInChI=1S/C10H17N3S/c1-10(4-6-14-2)9-8(3-5-13-10)11-7-12-9/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyCBXDTOMJRUPCFY-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.52
Rot. Bonds3

About 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine

4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 50979370) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID50979370
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCSCCC1(C)NCCc2[nH]cnc21
InChIInChI=1S/C10H17N3S/c1-10(4-6-14-2)9-8(3-5-13-10)11-7-12-9/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyCBXDTOMJRUPCFY-UHFFFAOYSA-N
XLogP1.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 50979370) is 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CSCCC1(C)NCCc2[nH]cnc21.
What is the InChIKey of 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is CBXDTOMJRUPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(4-6-14-2)9-8(3-5-13-10)11-7-12-9/h7,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 211.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylsulfanylethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 50979370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).