3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine

C16H16N3O- — CID 163179161

IUPAC3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine
SMILESCC1(C)N=C(c2cccnc2)N([O-])C1c1ccccc1
InChIInChI=1S/C16H16N3O/c1-16(2)14(12-7-4-3-5-8-12)19(20)15(18-16)13-9-6-10-17-11-13/h3-11,14H,1-2H3/q-1
InChIKeyKZNUXXQNZIWZJK-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.16
Rot. Bonds2

About 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine

3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine (PubChem CID 163179161) has the molecular formula C16H16N3O- and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine
PubChem CID163179161
Molecular FormulaC16H16N3O-
Molecular Weight266.32 g/mol
Exact Mass266.13
IUPAC Name3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine
SMILESCC1(C)N=C(c2cccnc2)N([O-])C1c1ccccc1
InChIInChI=1S/C16H16N3O/c1-16(2)14(12-7-4-3-5-8-12)19(20)15(18-16)13-9-6-10-17-11-13/h3-11,14H,1-2H3/q-1
InChIKeyKZNUXXQNZIWZJK-UHFFFAOYSA-N
XLogP3.16
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine?
The IUPAC name of 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine (CID 163179161) is 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine.
What is the SMILES notation for 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine?
The canonical SMILES for 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine is CC1(C)N=C(c2cccnc2)N([O-])C1c1ccccc1.
What is the InChIKey of 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine?
The InChIKey is KZNUXXQNZIWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N3O/c1-16(2)14(12-7-4-3-5-8-12)19(20)15(18-16)13-9-6-10-17-11-13/h3-11,14H,1-2H3/q-1.
What are the key properties of 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine?
3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine has a molecular weight of 266.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine is sourced from PubChem (CID 163179161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).