2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine

C16H15N3O — CID 82356291

IUPAC2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3c(C)cccn3c2N=O)cc1C
InChIInChI=1S/C16H15N3O/c1-10-6-7-13(9-12(10)3)14-16(18-20)19-8-4-5-11(2)15(19)17-14/h4-9H,1-3H3
InChIKeySMKPMCDCDJTIFT-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.32
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine

2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356291) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356291
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3c(C)cccn3c2N=O)cc1C
InChIInChI=1S/C16H15N3O/c1-10-6-7-13(9-12(10)3)14-16(18-20)19-8-4-5-11(2)15(19)17-14/h4-9H,1-3H3
InChIKeySMKPMCDCDJTIFT-UHFFFAOYSA-N
XLogP4.32
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine (CID 82356291) is 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine is Cc1ccc(-c2nc3c(C)cccn3c2N=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is SMKPMCDCDJTIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-6-7-13(9-12(10)3)14-16(18-20)19-8-4-5-11(2)15(19)17-14/h4-9H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine?
2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 265.32 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).