2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine

C17H17N3O2 — CID 82356325

IUPAC2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCCOc1ccc(C)cc1-c1nc2c(C)cccn2c1N=O
InChIInChI=1S/C17H17N3O2/c1-4-22-14-8-7-11(2)10-13(14)15-17(19-21)20-9-5-6-12(3)16(20)18-15/h5-10H,4H2,1-3H3
InChIKeySVTQIRWECDEOJK-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.41
Rot. Bonds4

About 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine

2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356325) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356325
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCCOc1ccc(C)cc1-c1nc2c(C)cccn2c1N=O
InChIInChI=1S/C17H17N3O2/c1-4-22-14-8-7-11(2)10-13(14)15-17(19-21)20-9-5-6-12(3)16(20)18-15/h5-10H,4H2,1-3H3
InChIKeySVTQIRWECDEOJK-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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Related Compounds

2-(2,5-dimethoxyphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356316
2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356508
2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356291
8-methyl-3-nitroso-2-(4-propylphenyl)imidazo[1,2-a]pyridine
CID 82356334
N,N-dimethyl-4-(8-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)aniline
CID 82356328
1-(2-ethoxy-5-methylphenyl)-2-methoxy-5-methyl-4-(2-methylphenyl)benzene
CID 135298981
1-[2-(2,5-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39146199
8-(cyclohexylmethoxy)-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 14676228
2-(2-ethoxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 63616629
8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63616942
3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126375
4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 94777129

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine (CID 82356325) is 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine is CCOc1ccc(C)cc1-c1nc2c(C)cccn2c1N=O.
What is the InChIKey of 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is SVTQIRWECDEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-22-14-8-7-11(2)10-13(14)15-17(19-21)20-9-5-6-12(3)16(20)18-15/h5-10H,4H2,1-3H3.
What are the key properties of 2-(2-ethoxy-5-methylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine?
2-(2-ethoxy-5-methylphenyl)-8-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)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).