5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H31N3O3 — CID 118746704

IUPAC5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCCN1Cc2ncn(C)c2C(COCC2CCOCC2)C1
InChIInChI=1S/C18H31N3O3/c1-3-22-9-6-21-10-16(18-17(11-21)19-14-20(18)2)13-24-12-15-4-7-23-8-5-15/h14-16H,3-13H2,1-2H3
InChIKeyIETNGSKIPMUUII-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.80
Rot. Bonds8

About 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118746704) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118746704
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCCN1Cc2ncn(C)c2C(COCC2CCOCC2)C1
InChIInChI=1S/C18H31N3O3/c1-3-22-9-6-21-10-16(18-17(11-21)19-14-20(18)2)13-24-12-15-4-7-23-8-5-15/h14-16H,3-13H2,1-2H3
InChIKeyIETNGSKIPMUUII-UHFFFAOYSA-N
XLogP1.80
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118746704) is 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOCCN1Cc2ncn(C)c2C(COCC2CCOCC2)C1.
What is the InChIKey of 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is IETNGSKIPMUUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-3-22-9-6-21-10-16(18-17(11-21)19-14-20(18)2)13-24-12-15-4-7-23-8-5-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 337.46 g/mol, XLogP of 1.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118746704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).