2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine

C17H17N3O2 — CID 82356508

IUPAC2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCCOc1ccc(C)cc1-c1nc2cccc(C)n2c1N=O
InChIInChI=1S/C17H17N3O2/c1-4-22-14-9-8-11(2)10-13(14)16-17(19-21)20-12(3)6-5-7-15(20)18-16/h5-10H,4H2,1-3H3
InChIKeyWZHLVNMMVBTAIA-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.41
Rot. Bonds4

About 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine

2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356508) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356508
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCCOc1ccc(C)cc1-c1nc2cccc(C)n2c1N=O
InChIInChI=1S/C17H17N3O2/c1-4-22-14-9-8-11(2)10-13(14)16-17(19-21)20-12(3)6-5-7-15(20)18-16/h5-10H,4H2,1-3H3
InChIKeyWZHLVNMMVBTAIA-UHFFFAOYSA-N
XLogP4.41
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine (CID 82356508) is 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine is CCOc1ccc(C)cc1-c1nc2cccc(C)n2c1N=O.
What is the InChIKey of 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is WZHLVNMMVBTAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-22-14-9-8-11(2)10-13(14)16-17(19-21)20-12(3)6-5-7-15(20)18-16/h5-10H,4H2,1-3H3.
What are the key properties of 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine?
2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 295.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).