2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine

C19H23N3OS — CID 141082277

IUPAC2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine
SMILESCCOCc1nc2cncc(C)c2n1CCCSc1ccccc1
InChIInChI=1S/C19H23N3OS/c1-3-23-14-18-21-17-13-20-12-15(2)19(17)22(18)10-7-11-24-16-8-5-4-6-9-16/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3
InChIKeyNTWNLQGVDNTPQB-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.46
Rot. Bonds8

About 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine

2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine (PubChem CID 141082277) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine
PubChem CID141082277
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine
SMILESCCOCc1nc2cncc(C)c2n1CCCSc1ccccc1
InChIInChI=1S/C19H23N3OS/c1-3-23-14-18-21-17-13-20-12-15(2)19(17)22(18)10-7-11-24-16-8-5-4-6-9-16/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3
InChIKeyNTWNLQGVDNTPQB-UHFFFAOYSA-N
XLogP4.46
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine (CID 141082277) is 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine is CCOCc1nc2cncc(C)c2n1CCCSc1ccccc1.
What is the InChIKey of 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine?
The InChIKey is NTWNLQGVDNTPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-3-23-14-18-21-17-13-20-12-15(2)19(17)22(18)10-7-11-24-16-8-5-4-6-9-16/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine?
2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine has a molecular weight of 341.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).