8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine

C17H16N2O2 — CID 22015632

IUPAC8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(-c3ccc(OCC4CO4)cc3)nc12
InChIInChI=1S/C17H16N2O2/c1-12-3-2-8-19-9-16(18-17(12)19)13-4-6-14(7-5-13)20-10-15-11-21-15/h2-9,15H,10-11H2,1H3
InChIKeyNULUVZHFUZAUHD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.09
Rot. Bonds4

About 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine

8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 22015632) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID22015632
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(-c3ccc(OCC4CO4)cc3)nc12
InChIInChI=1S/C17H16N2O2/c1-12-3-2-8-19-9-16(18-17(12)19)13-4-6-14(7-5-13)20-10-15-11-21-15/h2-9,15H,10-11H2,1H3
InChIKeyNULUVZHFUZAUHD-UHFFFAOYSA-N
XLogP3.09
TPSA39.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-8-methylimidazo[1,2-a]pyridine
CID 4715410
4-butoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055781
1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol
CID 22015603
2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanol
CID 13216498
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine
CID 59790923
8-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 70111525
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 122284247
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine
CID 59790994
4-ethoxy-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608343
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine (CID 22015632) is 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine is Cc1cccn2cc(-c3ccc(OCC4CO4)cc3)nc12.
What is the InChIKey of 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is NULUVZHFUZAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-3-2-8-19-9-16(18-17(12)19)13-4-6-14(7-5-13)20-10-15-11-21-15/h2-9,15H,10-11H2,1H3.
What are the key properties of 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine?
8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 280.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 22015632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).