2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine

C18H21N3O — CID 117165487

IUPAC2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3cccnc3n2CC(C)C)cc1
InChIInChI=1S/C18H21N3O/c1-13(2)12-21-17(20-16-5-4-10-19-18(16)21)11-14-6-8-15(22-3)9-7-14/h4-10,13H,11-12H2,1-3H3
InChIKeyIWAKEEMUEFBMOO-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.69
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine

2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine (PubChem CID 117165487) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
PubChem CID117165487
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3cccnc3n2CC(C)C)cc1
InChIInChI=1S/C18H21N3O/c1-13(2)12-21-17(20-16-5-4-10-19-18(16)21)11-14-6-8-15(22-3)9-7-14/h4-10,13H,11-12H2,1-3H3
InChIKeyIWAKEEMUEFBMOO-UHFFFAOYSA-N
XLogP3.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165282
4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057
4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165381
3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165060
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 3344843
3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164845
3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165077
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754
2-methoxy-N-[2-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]benzamide
CID 50843507
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84684642

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine (CID 117165487) is 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine is COc1ccc(Cc2nc3cccnc3n2CC(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is IWAKEEMUEFBMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)12-21-17(20-16-5-4-10-19-18(16)21)11-14-6-8-15(22-3)9-7-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 295.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).