4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine

C20H21N3O — CID 165414940

IUPAC4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine
SMILESCOc1c(C)cnc(/C=C/c2nc(-c3ccccc3)cn2C)c1C
InChIInChI=1S/C20H21N3O/c1-14-12-21-17(15(2)20(14)24-4)10-11-19-22-18(13-23(19)3)16-8-6-5-7-9-16/h5-13H,1-4H3/b11-10+
InChIKeyUQQPFQFJHSPIOZ-ZHACJKMWSA-N
MW319.41 g/mol
LogP4.28
Rot. Bonds4

About 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine

4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine (PubChem CID 165414940) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine
PubChem CID165414940
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine
SMILESCOc1c(C)cnc(/C=C/c2nc(-c3ccccc3)cn2C)c1C
InChIInChI=1S/C20H21N3O/c1-14-12-21-17(15(2)20(14)24-4)10-11-19-22-18(13-23(19)3)16-8-6-5-7-9-16/h5-13H,1-4H3/b11-10+
InChIKeyUQQPFQFJHSPIOZ-ZHACJKMWSA-N
XLogP4.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine?
The IUPAC name of 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine (CID 165414940) is 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine?
The canonical SMILES for 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine is COc1c(C)cnc(/C=C/c2nc(-c3ccccc3)cn2C)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine?
The InChIKey is UQQPFQFJHSPIOZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-12-21-17(15(2)20(14)24-4)10-11-19-22-18(13-23(19)3)16-8-6-5-7-9-16/h5-13H,1-4H3/b11-10+.
What are the key properties of 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine?
4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine has a molecular weight of 319.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyridine is sourced from PubChem (CID 165414940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).