6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine

C19H25N3S — CID 137468461

IUPAC6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine
SMILESCCSc1ccccc1-c1nc2c(n1C)=NCC(C(C)(C)C)C=2
InChIInChI=1S/C19H25N3S/c1-6-23-16-10-8-7-9-14(16)17-21-15-11-13(19(2,3)4)12-20-18(15)22(17)5/h7-11,13H,6,12H2,1-5H3
InChIKeyAGKFMHMNWLTIGX-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.28
Rot. Bonds3

About 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine

6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine (PubChem CID 137468461) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine
PubChem CID137468461
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine
SMILESCCSc1ccccc1-c1nc2c(n1C)=NCC(C(C)(C)C)C=2
InChIInChI=1S/C19H25N3S/c1-6-23-16-10-8-7-9-14(16)17-21-15-11-13(19(2,3)4)12-20-18(15)22(17)5/h7-11,13H,6,12H2,1-5H3
InChIKeyAGKFMHMNWLTIGX-UHFFFAOYSA-N
XLogP3.28
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine (CID 137468461) is 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine is CCSc1ccccc1-c1nc2c(n1C)=NCC(C(C)(C)C)C=2.
What is the InChIKey of 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine?
The InChIKey is AGKFMHMNWLTIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-6-23-16-10-8-7-9-14(16)17-21-15-11-13(19(2,3)4)12-20-18(15)22(17)5/h7-11,13H,6,12H2,1-5H3.
What are the key properties of 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine?
6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine has a molecular weight of 327.50 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-ethylsulfanylphenyl)-3-methyl-5,6-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 137468461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).