5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole

C16H18N2O — CID 143116039

IUPAC5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
SMILESC/C=C(\C)c1cnc(/C=C/c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C16H18N2O/c1-4-12(2)15-11-17-16(18-15)10-7-13-5-8-14(19-3)9-6-13/h4-11H,1-3H3,(H,17,18)/b10-7+,12-4+
InChIKeyHZZMNTYFIXUGBO-FFKWBEBTSA-N
MW254.33 g/mol
LogP4.01
Rot. Bonds4

About 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole

5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole (PubChem CID 143116039) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
PubChem CID143116039
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
SMILESC/C=C(\C)c1cnc(/C=C/c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C16H18N2O/c1-4-12(2)15-11-17-16(18-15)10-7-13-5-8-14(19-3)9-6-13/h4-11H,1-3H3,(H,17,18)/b10-7+,12-4+
InChIKeyHZZMNTYFIXUGBO-FFKWBEBTSA-N
XLogP4.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetylene;but-3-enal;5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole;ethane;prop-1-ene;(E)-prop-1-en-1-ol
CID 143116038
(3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal
CID 142933508
5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
CID 142933621
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
CID 12621816
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile
CID 100968728
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole (CID 143116039) is 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole is C/C=C(\C)c1cnc(/C=C/c2ccc(OC)cc2)[nH]1.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole?
The InChIKey is HZZMNTYFIXUGBO-FFKWBEBTSA-N. The full InChI is InChI=1S/C16H18N2O/c1-4-12(2)15-11-17-16(18-15)10-7-13-5-8-14(19-3)9-6-13/h4-11H,1-3H3,(H,17,18)/b10-7+,12-4+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole?
5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole has a molecular weight of 254.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole is sourced from PubChem (CID 143116039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).