7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine

C12H17N3O — CID 63722820

IUPAC7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine
SMILESCCCOCCc1nc2nccc(C)c2[nH]1
InChIInChI=1S/C12H17N3O/c1-3-7-16-8-5-10-14-11-9(2)4-6-13-12(11)15-10/h4,6H,3,5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyRLUXBJYTGOVYTH-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.24
Rot. Bonds5

About 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine

7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 63722820) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID63722820
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine
SMILESCCCOCCc1nc2nccc(C)c2[nH]1
InChIInChI=1S/C12H17N3O/c1-3-7-16-8-5-10-14-11-9(2)4-6-13-12(11)15-10/h4,6H,3,5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyRLUXBJYTGOVYTH-UHFFFAOYSA-N
XLogP2.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine (CID 63722820) is 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine is CCCOCCc1nc2nccc(C)c2[nH]1.
What is the InChIKey of 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is RLUXBJYTGOVYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-7-16-8-5-10-14-11-9(2)4-6-13-12(11)15-10/h4,6H,3,5,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine?
7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 219.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 63722820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).