(3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal

C20H20N2O2 — CID 142933508

IUPAC(3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal
SMILESC=C/C=C(\C=C/CC=O)c1cnc(/C=C/c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C20H20N2O2/c1-3-6-17(7-4-5-14-23)19-15-21-20(22-19)13-10-16-8-11-18(24-2)12-9-16/h3-4,6-15H,1,5H2,2H3,(H,21,22)/b7-4-,13-10+,17-6+
InChIKeyOTERARZOSGEXDB-NAEMFIKLSA-N
MW320.39 g/mol
LogP4.30
Rot. Bonds8

About (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal

(3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal (PubChem CID 142933508) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal.

Molecular Properties

Compound Name(3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal
PubChem CID142933508
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal
SMILESC=C/C=C(\C=C/CC=O)c1cnc(/C=C/c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C20H20N2O2/c1-3-6-17(7-4-5-14-23)19-15-21-20(22-19)13-10-16-8-11-18(24-2)12-9-16/h3-4,6-15H,1,5H2,2H3,(H,21,22)/b7-4-,13-10+,17-6+
InChIKeyOTERARZOSGEXDB-NAEMFIKLSA-N
XLogP4.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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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
5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
CID 143116039
5-[(Z)-2,3-difluoroprop-1-enyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
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6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
CID 102160663
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-one
CID 23464062
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 59090938
CID 59090938
CID 69129935
CID 69129935
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal?
The IUPAC name of (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal (CID 142933508) is (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal.
What is the SMILES notation for (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal?
The canonical SMILES for (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal is C=C/C=C(\C=C/CC=O)c1cnc(/C=C/c2ccc(OC)cc2)[nH]1.
What is the InChIKey of (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal?
The InChIKey is OTERARZOSGEXDB-NAEMFIKLSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-6-17(7-4-5-14-23)19-15-21-20(22-19)13-10-16-8-11-18(24-2)12-9-16/h3-4,6-15H,1,5H2,2H3,(H,21,22)/b7-4-,13-10+,17-6+.
What are the key properties of (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal?
(3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal has a molecular weight of 320.39 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazol-5-yl]octa-3,5,7-trienal is sourced from PubChem (CID 142933508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).