6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione

C16H17N3S — CID 104591854

IUPAC6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2CC(C)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-11-8-14-15(17-9-11)19(16(20)18-14)10-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,20)
InChIKeyQZEOFVRWBNNEQI-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.21
Rot. Bonds3

About 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione

6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 104591854) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID104591854
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2CC(C)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-11-8-14-15(17-9-11)19(16(20)18-14)10-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,20)
InChIKeyQZEOFVRWBNNEQI-UHFFFAOYSA-N
XLogP4.21
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-(2-phenylpropyl)-1H-benzimidazole-2-thione
CID 104591837
6-methyl-3-(7-methyloctyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 107816876
3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293249
6-methyl-3-[(5-methylfuran-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301518
3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301732
6-chloro-3-(3-methyl-2-propan-2-ylbutyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 102906759
6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114701133
3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293910
3-(3-ethylpentan-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301312
3-(2-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293263
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374818
3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 102906712

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 104591854) is 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2CC(C)c1ccccc1.
What is the InChIKey of 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QZEOFVRWBNNEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-8-14-15(17-9-11)19(16(20)18-14)10-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,18,20).
What are the key properties of 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 283.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 104591854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).