2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine

C18H20N2O — CID 19210007

IUPAC2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
SMILESCCCCOc1ccc(-c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C18H20N2O/c1-3-4-11-21-16-7-5-15(6-8-16)17-13-20-10-9-14(2)12-18(20)19-17/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyKHLSPQKMFWCQFQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.49
Rot. Bonds5

About 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine

2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine (PubChem CID 19210007) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
PubChem CID19210007
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
SMILESCCCCOc1ccc(-c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C18H20N2O/c1-3-4-11-21-16-7-5-15(6-8-16)17-13-20-10-9-14(2)12-18(20)19-17/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyKHLSPQKMFWCQFQ-UHFFFAOYSA-N
XLogP4.49
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-[4-(3-piperazin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
CID 10360549
4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055735
2-(4-tert-butylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 4837144
2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
CID 135215156
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
7-methyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 868213
2-[4-(2-fluoroethoxy)phenyl]-N-methylimidazo[1,2-a]pyridin-7-amine
CID 86282705
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481
4-ethoxy-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608342
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
2,4-diethoxy-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284832
N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
CID 14773969

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine (CID 19210007) is 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine is CCCCOc1ccc(-c2cn3ccc(C)cc3n2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The InChIKey is KHLSPQKMFWCQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-4-11-21-16-7-5-15(6-8-16)17-13-20-10-9-14(2)12-18(20)19-17/h5-10,12-13H,3-4,11H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine has a molecular weight of 280.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 19210007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).