2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine

C11H15N3O — CID 81137539

IUPAC2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCOCCCc1nc2nc(C)ccc2[nH]1
InChIInChI=1S/C11H15N3O/c1-8-5-6-9-11(12-8)14-10(13-9)4-3-7-15-2/h5-6H,3-4,7H2,1-2H3,(H,12,13,14)
InChIKeyFHMYCOYGESMASP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine

2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 81137539) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID81137539
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCOCCCc1nc2nc(C)ccc2[nH]1
InChIInChI=1S/C11H15N3O/c1-8-5-6-9-11(12-8)14-10(13-9)4-3-7-15-2/h5-6H,3-4,7H2,1-2H3,(H,12,13,14)
InChIKeyFHMYCOYGESMASP-UHFFFAOYSA-N
XLogP1.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.85
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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Related Compounds

Carbendazim
CID 25429
Lobendazole
CID 22752
2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
1-(1H-Benzimidazol-2-yl)ethanone
CID 70322
1H-Benzimidazole-2-methanamine
CID 145820
2-tert-Butylbenzimidazole
CID 32366
2-(Hydroxymethyl)-1H-benzimidazole
CID 78569
1H-Benzimidazole-2-pentanamine
CID 162387
2-Benzimidazolepropanol
CID 75470
2-Propyl-1H-benzimidazole
CID 21624

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine (CID 81137539) is 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine is COCCCc1nc2nc(C)ccc2[nH]1.
What is the InChIKey of 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is FHMYCOYGESMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-5-6-9-11(12-8)14-10(13-9)4-3-7-15-2/h5-6H,3-4,7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 205.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81137539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).