2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole

C19H24N2 — CID 155245671

IUPAC2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole
SMILESC=C/C=C(\C=C/C)c1nc(CC)[nH]c1C(/C=C\C)=C/C=C
InChIInChI=1S/C19H24N2/c1-6-11-15(12-7-2)18-19(21-17(10-5)20-18)16(13-8-3)14-9-4/h6-9,11-14H,1,3,10H2,2,4-5H3,(H,20,21)/b12-7-,14-9-,15-11+,16-13+
InChIKeyKFMKQIGEFSXMHJ-FGMVZJFCSA-N
MW280.42 g/mol
LogP5.26
Rot. Bonds7

About 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole

2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole (PubChem CID 155245671) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole
PubChem CID155245671
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole
SMILESC=C/C=C(\C=C/C)c1nc(CC)[nH]c1C(/C=C\C)=C/C=C
InChIInChI=1S/C19H24N2/c1-6-11-15(12-7-2)18-19(21-17(10-5)20-18)16(13-8-3)14-9-4/h6-9,11-14H,1,3,10H2,2,4-5H3,(H,20,21)/b12-7-,14-9-,15-11+,16-13+
InChIKeyKFMKQIGEFSXMHJ-FGMVZJFCSA-N
XLogP5.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole
CID 162282931
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole
CID 130256315
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 174148997
1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
5-ethyl-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-1,2,4-triazole;molecular hydrogen
CID 143106810
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole
CID 143135789
[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-1,3-oxazol-2-yl]sulfanylmethanamine
CID 143576012
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]furo[3,2-d]pyrimidine
CID 155101991
(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
CID 142874762
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]-4,5-diphenyl-1H-pyrrole
CID 145108251

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole?
The IUPAC name of 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole (CID 155245671) is 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole.
What is the SMILES notation for 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole?
The canonical SMILES for 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole is C=C/C=C(\C=C/C)c1nc(CC)[nH]c1C(/C=C\C)=C/C=C.
What is the InChIKey of 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole?
The InChIKey is KFMKQIGEFSXMHJ-FGMVZJFCSA-N. The full InChI is InChI=1S/C19H24N2/c1-6-11-15(12-7-2)18-19(21-17(10-5)20-18)16(13-8-3)14-9-4/h6-9,11-14H,1,3,10H2,2,4-5H3,(H,20,21)/b12-7-,14-9-,15-11+,16-13+.
What are the key properties of 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole?
2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole has a molecular weight of 280.42 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole is sourced from PubChem (CID 155245671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).