1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole

C13H14N2O — CID 139262686

IUPAC1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole
SMILESCOc1ccc(/C=C\n2cncc2C)cc1
InChIInChI=1S/C13H14N2O/c1-11-9-14-10-15(11)8-7-12-3-5-13(16-2)6-4-12/h3-10H,1-2H3/b8-7-
InChIKeyPEVYZJHGTTYJDI-FPLPWBNLSA-N
MW214.27 g/mol
LogP2.83
Rot. Bonds3

About 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole

1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole (PubChem CID 139262686) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole.

Molecular Properties

Compound Name1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole
PubChem CID139262686
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole
SMILESCOc1ccc(/C=C\n2cncc2C)cc1
InChIInChI=1S/C13H14N2O/c1-11-9-14-10-15(11)8-7-12-3-5-13(16-2)6-4-12/h3-10H,1-2H3/b8-7-
InChIKeyPEVYZJHGTTYJDI-FPLPWBNLSA-N
XLogP2.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole?
The IUPAC name of 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole (CID 139262686) is 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole.
What is the SMILES notation for 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole?
The canonical SMILES for 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole is COc1ccc(/C=C\n2cncc2C)cc1.
What is the InChIKey of 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole?
The InChIKey is PEVYZJHGTTYJDI-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H14N2O/c1-11-9-14-10-15(11)8-7-12-3-5-13(16-2)6-4-12/h3-10H,1-2H3/b8-7-.
What are the key properties of 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole?
1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole has a molecular weight of 214.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole is sourced from PubChem (CID 139262686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).