2-methoxy-5-(1-tritylimidazol-4-yl)pyridine

C28H23N3O — CID 23511412

IUPAC2-methoxy-5-(1-tritylimidazol-4-yl)pyridine
SMILESCOc1ccc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cn1
InChIInChI=1S/C28H23N3O/c1-32-27-18-17-22(19-29-27)26-20-31(21-30-26)28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3
InChIKeyCFXNCAINGOESLQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.79
Rot. Bonds6

About 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine

2-methoxy-5-(1-tritylimidazol-4-yl)pyridine (PubChem CID 23511412) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-(1-tritylimidazol-4-yl)pyridine
PubChem CID23511412
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name2-methoxy-5-(1-tritylimidazol-4-yl)pyridine
SMILESCOc1ccc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cn1
InChIInChI=1S/C28H23N3O/c1-32-27-18-17-22(19-29-27)26-20-31(21-30-26)28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3
InChIKeyCFXNCAINGOESLQ-UHFFFAOYSA-N
XLogP5.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine?
The IUPAC name of 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine (CID 23511412) is 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine.
What is the SMILES notation for 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine?
The canonical SMILES for 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine is COc1ccc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cn1.
What is the InChIKey of 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine?
The InChIKey is CFXNCAINGOESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c1-32-27-18-17-22(19-29-27)26-20-31(21-30-26)28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3.
What are the key properties of 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine?
2-methoxy-5-(1-tritylimidazol-4-yl)pyridine has a molecular weight of 417.51 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-tritylimidazol-4-yl)pyridine is sourced from PubChem (CID 23511412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).