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

C16H17N3O — CID 63725024

IUPAC2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(CCc2nc3nccc(C)c3[nH]2)cc1
InChIInChI=1S/C16H17N3O/c1-11-9-10-17-16-15(11)18-14(19-16)8-5-12-3-6-13(20-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,17,18,19)
InChIKeyJLEPLGAVSXOCTC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds4

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

2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 63725024) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID63725024
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(CCc2nc3nccc(C)c3[nH]2)cc1
InChIInChI=1S/C16H17N3O/c1-11-9-10-17-16-15(11)18-14(19-16)8-5-12-3-6-13(20-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,17,18,19)
InChIKeyJLEPLGAVSXOCTC-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 82337401
2-methoxy-7-methyl-1H-imidazo[4,5-b]pyridine
CID 22067363
2-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 55230388
4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 63724669
N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
CID 63724851
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
2-methoxy-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine
CID 63772690
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-[2-(2-methylphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 152617267
3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 55228667
2-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 80741042
8-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 158817113
2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938337

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine (CID 63725024) is 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine is COc1ccc(CCc2nc3nccc(C)c3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is JLEPLGAVSXOCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-9-10-17-16-15(11)18-14(19-16)8-5-12-3-6-13(20-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 267.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 63725024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).