1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole

C15H22N2 — CID 134239526

IUPAC1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole
SMILESC=C1C(C/C(C)=C\C)N=CN1C(/C=C\C)=C/C
InChIInChI=1S/C15H22N2/c1-6-9-14(8-3)17-11-16-15(13(17)5)10-12(4)7-2/h6-9,11,15H,5,10H2,1-4H3/b9-6-,12-7-,14-8+
InChIKeyQFEJSPPLCJASMX-LJEYMHHLSA-N
MW230.35 g/mol
LogP4.05
Rot. Bonds4

About 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole

1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole (PubChem CID 134239526) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole
PubChem CID134239526
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole
SMILESC=C1C(C/C(C)=C\C)N=CN1C(/C=C\C)=C/C
InChIInChI=1S/C15H22N2/c1-6-9-14(8-3)17-11-16-15(13(17)5)10-12(4)7-2/h6-9,11,15H,5,10H2,1-4H3/b9-6-,12-7-,14-8+
InChIKeyQFEJSPPLCJASMX-LJEYMHHLSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole (CID 134239526) is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole is C=C1C(C/C(C)=C\C)N=CN1C(/C=C\C)=C/C.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole?
The InChIKey is QFEJSPPLCJASMX-LJEYMHHLSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-9-14(8-3)17-11-16-15(13(17)5)10-12(4)7-2/h6-9,11,15H,5,10H2,1-4H3/b9-6-,12-7-,14-8+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole?
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole has a molecular weight of 230.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole is sourced from PubChem (CID 134239526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).