1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole

C18H22N2 — CID 144631854

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole
SMILESC=C/C=C(\C=C/C)c1ncc(C)n1/C(C=C)=C/C=C\C
InChIInChI=1S/C18H22N2/c1-6-10-13-17(9-4)20-15(5)14-19-18(20)16(11-7-2)12-8-3/h6-14H,2,4H2,1,3,5H3/b10-6-,12-8-,16-11+,17-13+
InChIKeyLKNNNWWYHOIYLN-RKYWGTKMSA-N
MW266.39 g/mol
LogP4.94
Rot. Bonds6

About 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole

1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole (PubChem CID 144631854) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole
PubChem CID144631854
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole
SMILESC=C/C=C(\C=C/C)c1ncc(C)n1/C(C=C)=C/C=C\C
InChIInChI=1S/C18H22N2/c1-6-10-13-17(9-4)20-15(5)14-19-18(20)16(11-7-2)12-8-3/h6-14H,2,4H2,1,3,5H3/b10-6-,12-8-,16-11+,17-13+
InChIKeyLKNNNWWYHOIYLN-RKYWGTKMSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 143178055
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole
CID 130256315
5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazole
CID 167004794
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-pyrazole
CID 144586960
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 142935495
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565223
2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine
CID 123280438
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 138665431
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methoxyprop-2-enyl)-5-(methylamino)pyrimidin-4-one
CID 170790225
6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 170635404

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole (CID 144631854) is 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole is C=C/C=C(\C=C/C)c1ncc(C)n1/C(C=C)=C/C=C\C.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole?
The InChIKey is LKNNNWWYHOIYLN-RKYWGTKMSA-N. The full InChI is InChI=1S/C18H22N2/c1-6-10-13-17(9-4)20-15(5)14-19-18(20)16(11-7-2)12-8-3/h6-14H,2,4H2,1,3,5H3/b10-6-,12-8-,16-11+,17-13+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole?
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole has a molecular weight of 266.39 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole is sourced from PubChem (CID 144631854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).