2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine

C23H19N3O — CID 58191856

IUPAC2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1ccc(COc2ccc(-c3cn4cccc(C)c4n3)cc2C)cc1
InChIInChI=1S/C23H19N3O/c1-16-5-4-12-26-14-21(25-23(16)26)19-8-11-22(17(2)13-19)27-15-18-6-9-20(24-3)10-7-18/h4-14H,15H2,1-2H3
InChIKeyMNFFKBPLXRPPLR-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.75
Rot. Bonds4

About 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine

2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 58191856) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID58191856
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1ccc(COc2ccc(-c3cn4cccc(C)c4n3)cc2C)cc1
InChIInChI=1S/C23H19N3O/c1-16-5-4-12-26-14-21(25-23(16)26)19-8-11-22(17(2)13-19)27-15-18-6-9-20(24-3)10-7-18/h4-14H,15H2,1-2H3
InChIKeyMNFFKBPLXRPPLR-UHFFFAOYSA-N
XLogP5.75
TPSA30.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine (CID 58191856) is 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine is [C-]#[N+]c1ccc(COc2ccc(-c3cn4cccc(C)c4n3)cc2C)cc1.
What is the InChIKey of 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is MNFFKBPLXRPPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-5-4-12-26-14-21(25-23(16)26)19-8-11-22(17(2)13-19)27-15-18-6-9-20(24-3)10-7-18/h4-14H,15H2,1-2H3.
What are the key properties of 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine?
2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 353.43 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 58191856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).