5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole

C13H18N2 — CID 89300089

IUPAC5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole
SMILESC=C/C(C)=C\C=C(\c1cnc[nH]1)C(C)C
InChIInChI=1S/C13H18N2/c1-5-11(4)6-7-12(10(2)3)13-8-14-9-15-13/h5-10H,1H2,2-4H3,(H,14,15)/b11-6-,12-7+
InChIKeyPRNYIXLDHNTJDG-TWTKIJFOSA-N
MW202.30 g/mol
LogP3.58
Rot. Bonds4

About 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole

5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole (PubChem CID 89300089) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole
PubChem CID89300089
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole
SMILESC=C/C(C)=C\C=C(\c1cnc[nH]1)C(C)C
InChIInChI=1S/C13H18N2/c1-5-11(4)6-7-12(10(2)3)13-8-14-9-15-13/h5-10H,1H2,2-4H3,(H,14,15)/b11-6-,12-7+
InChIKeyPRNYIXLDHNTJDG-TWTKIJFOSA-N
XLogP3.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole with MolForge

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Related Compounds

5-buta-1,3-dien-2-yl-1H-imidazole
CID 121420097
1-(1H-imidazol-5-yl)-2-methylpropan-1-one
CID 10197729
5-[(E)-but-2-en-2-yl]-1H-imidazole
CID 15643146
N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
CID 141300351
1-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-yl]-4-methylbenzene
CID 169209291
1-(1H-imidazol-5-yl)pent-4-en-1-one
CID 565715
5-(1-ethoxyethenyl)-1H-imidazole
CID 67268300
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
bis(1H-imidazole-5-carboxylic acid);manganese
CID 134691385
1H-imidazole-5-carboxylic acid;dihydrate
CID 140542846
(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine
CID 88998044
(E)-1-(1H-imidazol-5-yl)-4-methylpent-1-en-3-one;molecular hydrogen
CID 167492334

Frequently Asked Questions

What is the IUPAC name of 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole?
The IUPAC name of 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole (CID 89300089) is 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole.
What is the SMILES notation for 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole?
The canonical SMILES for 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole is C=C/C(C)=C\C=C(\c1cnc[nH]1)C(C)C.
What is the InChIKey of 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole?
The InChIKey is PRNYIXLDHNTJDG-TWTKIJFOSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-11(4)6-7-12(10(2)3)13-8-14-9-15-13/h5-10H,1H2,2-4H3,(H,14,15)/b11-6-,12-7+.
What are the key properties of 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole?
5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E,5Z)-2,6-dimethylocta-3,5,7-trien-3-yl]-1H-imidazole is sourced from PubChem (CID 89300089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).