2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine

C18H19N3O — CID 82356481

IUPAC2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(-c3ccc(C(C)(C)C)cc3)c(N=O)n12
InChIInChI=1S/C18H19N3O/c1-12-6-5-7-15-19-16(17(20-22)21(12)15)13-8-10-14(11-9-13)18(2,3)4/h5-11H,1-4H3
InChIKeyFASDEBBWGYWHIC-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.01
Rot. Bonds2

About 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine

2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356481) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356481
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(-c3ccc(C(C)(C)C)cc3)c(N=O)n12
InChIInChI=1S/C18H19N3O/c1-12-6-5-7-15-19-16(17(20-22)21(12)15)13-8-10-14(11-9-13)18(2,3)4/h5-11H,1-4H3
InChIKeyFASDEBBWGYWHIC-UHFFFAOYSA-N
XLogP5.01
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356477
5-(5-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,3-dihydroindol-2-one
CID 82356528
2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356508
1-(4-chlorophenyl)-N-(5-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methanimine
CID 23994402
2-(4-tert-butylphenyl)-3-methylimidazo[1,2-a]pyridine
CID 66561784
5-methyl-N,2-bis(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3515709
2-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 86748437
5-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 63618459
2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
CID 143714645
2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618253
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8709404

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine (CID 82356481) is 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine is Cc1cccc2nc(-c3ccc(C(C)(C)C)cc3)c(N=O)n12.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is FASDEBBWGYWHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-6-5-7-15-19-16(17(20-22)21(12)15)13-8-10-14(11-9-13)18(2,3)4/h5-11H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine?
2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 293.37 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).