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

C14H21N3OS — CID 141082531

IUPAC2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine
SMILESCCOCc1nc2cncc(C)c2n1CCCSC
InChIInChI=1S/C14H21N3OS/c1-4-18-10-13-16-12-9-15-8-11(2)14(12)17(13)6-5-7-19-3/h8-9H,4-7,10H2,1-3H3
InChIKeyVOITUUMWZYSUNB-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.03
Rot. Bonds7

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

2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine (PubChem CID 141082531) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine
PubChem CID141082531
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine
SMILESCCOCc1nc2cncc(C)c2n1CCCSC
InChIInChI=1S/C14H21N3OS/c1-4-18-10-13-16-12-9-15-8-11(2)14(12)17(13)6-5-7-19-3/h8-9H,4-7,10H2,1-3H3
InChIKeyVOITUUMWZYSUNB-UHFFFAOYSA-N
XLogP3.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.03
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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Related Compounds

2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine
CID 141082277
2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine
CID 141082386
2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine
CID 141082406
2-ethyl-7-methyl-1-(5-pyrimidin-2-ylsulfanylpentyl)imidazo[4,5-c]pyridine
CID 141082369
6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine
CID 141082432
2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine
CID 141082451
2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine
CID 141082506
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
4-[2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butan-1-amine
CID 141155477
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine (CID 141082531) is 2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine is CCOCc1nc2cncc(C)c2n1CCCSC.
What is the InChIKey of 2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine?
The InChIKey is VOITUUMWZYSUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-18-10-13-16-12-9-15-8-11(2)14(12)17(13)6-5-7-19-3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine?
2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine has a molecular weight of 279.41 g/mol, XLogP of 3.03, 7 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-methylsulfanylpropyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).