5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole

C15H14F2N2O — CID 142933621

IUPAC5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
SMILESCOc1ccc(/C=C/c2ncc(/C=C(\F)CF)[nH]2)cc1
InChIInChI=1S/C15H14F2N2O/c1-20-14-5-2-11(3-6-14)4-7-15-18-10-13(19-15)8-12(17)9-16/h2-8,10H,9H2,1H3,(H,18,19)/b7-4+,12-8-
InChIKeyOCFXDTZLZAHTPP-JHLWKMQHSA-N
MW276.29 g/mol
LogP3.87
Rot. Bonds5

About 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole

5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole (PubChem CID 142933621) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
PubChem CID142933621
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
SMILESCOc1ccc(/C=C/c2ncc(/C=C(\F)CF)[nH]2)cc1
InChIInChI=1S/C15H14F2N2O/c1-20-14-5-2-11(3-6-14)4-7-15-18-10-13(19-15)8-12(17)9-16/h2-8,10H,9H2,1H3,(H,18,19)/b7-4+,12-8-
InChIKeyOCFXDTZLZAHTPP-JHLWKMQHSA-N
XLogP3.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
CID 143116039
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal
CID 142933508
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
6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
CID 12621816
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
CID 102160663
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
1-methoxy-4-[(Z)-2,4,4,4-tetrafluorobut-1-enyl]benzene
CID 177473841
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole?
The IUPAC name of 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole (CID 142933621) is 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole.
What is the SMILES notation for 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole?
The canonical SMILES for 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole is COc1ccc(/C=C/c2ncc(/C=C(\F)CF)[nH]2)cc1.
What is the InChIKey of 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole?
The InChIKey is OCFXDTZLZAHTPP-JHLWKMQHSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-20-14-5-2-11(3-6-14)4-7-15-18-10-13(19-15)8-12(17)9-16/h2-8,10H,9H2,1H3,(H,18,19)/b7-4+,12-8-.
What are the key properties of 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole?
5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole has a molecular weight of 276.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole is sourced from PubChem (CID 142933621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).