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

C18H21N3O — CID 117165077

IUPAC3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(Cc2nc3cccnc3n2C(C)(C)C)c1
InChIInChI=1S/C18H21N3O/c1-18(2,3)21-16(20-15-9-6-10-19-17(15)21)12-13-7-5-8-14(11-13)22-4/h5-11H,12H2,1-4H3
InChIKeyHDRWMIUQVFAFLG-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.79
Rot. Bonds3

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

3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117165077) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
PubChem CID117165077
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(Cc2nc3cccnc3n2C(C)(C)C)c1
InChIInChI=1S/C18H21N3O/c1-18(2,3)21-16(20-15-9-6-10-19-17(15)21)12-13-7-5-8-14(11-13)22-4/h5-11H,12H2,1-4H3
InChIKeyHDRWMIUQVFAFLG-UHFFFAOYSA-N
XLogP3.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165060
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
2-(3-methoxyphenyl)-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 53143714
2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165487
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
N-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 53022337
3-methoxy-N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53020588
2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117164895
[4-[2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 42276581
N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 53022402

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine (CID 117165077) is 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine is COc1cccc(Cc2nc3cccnc3n2C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is HDRWMIUQVFAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(2,3)21-16(20-15-9-6-10-19-17(15)21)12-13-7-5-8-14(11-13)22-4/h5-11H,12H2,1-4H3.
What are the key properties of 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 295.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).