2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine

C21H21N3O2 — CID 23025780

IUPAC2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
SMILESCCCCOc1cccc(-c2nc3ncc(-c4ccco4)cc3n2C)c1
InChIInChI=1S/C21H21N3O2/c1-3-4-10-25-17-8-5-7-15(12-17)21-23-20-18(24(21)2)13-16(14-22-20)19-9-6-11-26-19/h5-9,11-14H,3-4,10H2,1-2H3
InChIKeyKGVGTSBBMNWQJH-UHFFFAOYSA-N
MW347.42 g/mol
LogP5.07
Rot. Bonds6

About 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine

2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine (PubChem CID 23025780) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
PubChem CID23025780
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
SMILESCCCCOc1cccc(-c2nc3ncc(-c4ccco4)cc3n2C)c1
InChIInChI=1S/C21H21N3O2/c1-3-4-10-25-17-8-5-7-15(12-17)21-23-20-18(24(21)2)13-16(14-22-20)19-9-6-11-26-19/h5-9,11-14H,3-4,10H2,1-2H3
InChIKeyKGVGTSBBMNWQJH-UHFFFAOYSA-N
XLogP5.07
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine
CID 23026037
2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 23025916
6-(furan-2-yl)-2-(3-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026076
6-(3-butoxyphenyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 69187154
5-(3-butoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 102543629
2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 17000191
2-(3-hexoxyphenyl)-5-(4-hexoxyphenyl)pyrimidine
CID 19386230
1,2,3-tris(3-butoxyphenyl)anthracene
CID 150015640
2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid
CID 91421360
1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
CID 23025801
2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole
CID 91261556
2-[4-(3-methoxypropoxy)phenyl]furan
CID 168527685

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine (CID 23025780) is 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine is CCCCOc1cccc(-c2nc3ncc(-c4ccco4)cc3n2C)c1.
What is the InChIKey of 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The InChIKey is KGVGTSBBMNWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-4-10-25-17-8-5-7-15(12-17)21-23-20-18(24(21)2)13-16(14-22-20)19-9-6-11-26-19/h5-9,11-14H,3-4,10H2,1-2H3.
What are the key properties of 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine?
2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine has a molecular weight of 347.42 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23025780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).