2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine

C14H23N3O — CID 143720596

IUPAC2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine
SMILESCCC1Nc2c(C)cc(CCCOC)nc2N1C
InChIInChI=1S/C14H23N3O/c1-5-12-16-13-10(2)9-11(7-6-8-18-4)15-14(13)17(12)3/h9,12,16H,5-8H2,1-4H3
InChIKeyFCCFGXZMXROIGA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.57
Rot. Bonds5

About 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine

2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine (PubChem CID 143720596) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine
PubChem CID143720596
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine
SMILESCCC1Nc2c(C)cc(CCCOC)nc2N1C
InChIInChI=1S/C14H23N3O/c1-5-12-16-13-10(2)9-11(7-6-8-18-4)15-14(13)17(12)3/h9,12,16H,5-8H2,1-4H3
InChIKeyFCCFGXZMXROIGA-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
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 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine (CID 143720596) is 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine is CCC1Nc2c(C)cc(CCCOC)nc2N1C.
What is the InChIKey of 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine?
The InChIKey is FCCFGXZMXROIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-12-16-13-10(2)9-11(7-6-8-18-4)15-14(13)17(12)3/h9,12,16H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine?
2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine has a molecular weight of 249.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 143720596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).