3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine

C16H15N3O — CID 928089

IUPAC3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine
SMILESCC1(C)N=C(c2cccnc2)[N+]([O-])=C1c1ccccc1
InChIInChI=1S/C16H15N3O/c1-16(2)14(12-7-4-3-5-8-12)19(20)15(18-16)13-9-6-10-17-11-13/h3-11H,1-2H3
InChIKeyQPMLDJCRLJKVPO-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.62
Rot. Bonds2

About 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine

3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine (PubChem CID 928089) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine.

Molecular Properties

Compound Name3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine
PubChem CID928089
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine
SMILESCC1(C)N=C(c2cccnc2)[N+]([O-])=C1c1ccccc1
InChIInChI=1S/C16H15N3O/c1-16(2)14(12-7-4-3-5-8-12)19(20)15(18-16)13-9-6-10-17-11-13/h3-11H,1-2H3
InChIKeyQPMLDJCRLJKVPO-UHFFFAOYSA-N
XLogP2.62
TPSA51.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(4,4-dimethyl-1,3-dioxido-5-phenylimidazole-1,3-diium-2-yl)pyridine
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3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine
CID 163179161
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3-[(1R)-1-phenylethyl]pyridine
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3-phenyl-6-pyridin-3-ylpyridazine
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3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
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CID 91046767
3-azulen-6-ylpyridine
CID 86232079

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine?
The IUPAC name of 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine (CID 928089) is 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine.
What is the SMILES notation for 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine?
The canonical SMILES for 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine is CC1(C)N=C(c2cccnc2)[N+]([O-])=C1c1ccccc1.
What is the InChIKey of 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine?
The InChIKey is QPMLDJCRLJKVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-16(2)14(12-7-4-3-5-8-12)19(20)15(18-16)13-9-6-10-17-11-13/h3-11H,1-2H3.
What are the key properties of 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine?
3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine has a molecular weight of 265.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine is sourced from PubChem (CID 928089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).