2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine

C17H17N3O2 — CID 82356466

IUPAC2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCOc1cc(C)c(-c2nc3ccc(C)cn3c2N=O)cc1C
InChIInChI=1S/C17H17N3O2/c1-10-5-6-15-18-16(17(19-21)20(15)9-10)13-7-12(3)14(22-4)8-11(13)2/h5-9H,1-4H3
InChIKeyITKMGAYEEVZVAD-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.33
Rot. Bonds3

About 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine

2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356466) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356466
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCOc1cc(C)c(-c2nc3ccc(C)cn3c2N=O)cc1C
InChIInChI=1S/C17H17N3O2/c1-10-5-6-15-18-16(17(19-21)20(15)9-10)13-7-12(3)14(22-4)8-11(13)2/h5-9H,1-4H3
InChIKeyITKMGAYEEVZVAD-UHFFFAOYSA-N
XLogP4.33
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine (CID 82356466) is 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine is COc1cc(C)c(-c2nc3ccc(C)cn3c2N=O)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is ITKMGAYEEVZVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-5-6-15-18-16(17(19-21)20(15)9-10)13-7-12(3)14(22-4)8-11(13)2/h5-9H,1-4H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine?
2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 295.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).