3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C17H23N3S — CID 70916451

IUPAC3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCSCCCN1CCc2nc(-c3ccccc3)n(C)c2C1
InChIInChI=1S/C17H23N3S/c1-19-16-13-20(10-6-12-21-2)11-9-15(16)18-17(19)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3
InChIKeyRBEMXPXFYXHJGJ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.20
Rot. Bonds5

About 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 70916451) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID70916451
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCSCCCN1CCc2nc(-c3ccccc3)n(C)c2C1
InChIInChI=1S/C17H23N3S/c1-19-16-13-20(10-6-12-21-2)11-9-15(16)18-17(19)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3
InChIKeyRBEMXPXFYXHJGJ-UHFFFAOYSA-N
XLogP3.20
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 70916451) is 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CSCCCN1CCc2nc(-c3ccccc3)n(C)c2C1.
What is the InChIKey of 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is RBEMXPXFYXHJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-19-16-13-20(10-6-12-21-2)11-9-15(16)18-17(19)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3.
What are the key properties of 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 301.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 70916451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).