1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole

C12H18N2 — CID 10954357

IUPAC1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
SMILESCC/C=C\CC/C=C/c1nccn1C
InChIInChI=1S/C12H18N2/c1-3-4-5-6-7-8-9-12-13-10-11-14(12)2/h4-5,8-11H,3,6-7H2,1-2H3/b5-4-,9-8+
InChIKeyPBEHKGXRXOSEKH-FTGFODROSA-N
MW190.29 g/mol
LogP3.18
Rot. Bonds5

About 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole

1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole (PubChem CID 10954357) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
PubChem CID10954357
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
SMILESCC/C=C\CC/C=C/c1nccn1C
InChIInChI=1S/C12H18N2/c1-3-4-5-6-7-8-9-12-13-10-11-14(12)2/h4-5,8-11H,3,6-7H2,1-2H3/b5-4-,9-8+
InChIKeyPBEHKGXRXOSEKH-FTGFODROSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-allyl-1H-imidazole
CID 35794
1-Allyl-3-methylimidazolium chloride
CID 11321106
1-Subsituted 1H-imidazole, 10
CID 20148469
1-Subsituted 1H-imidazole, 13
CID 23466933
1-Subsituted 1H-imidazole, 14
CID 25116047
N-(dimethylallyl)imidazole
CID 57339814
1-Subsituted 1H-imidazole, 12
CID 57339815
4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
CID 10678575
1-Allyl-3-methylimidazolium bromide
CID 11229454
1-Allyl-3-methylimidazolium iodide
CID 12392665
1-Allyl-3-methylimidazolium dicyanamide
CID 71310877
3-Allyl-1-vinyl-1H-imidazol-3-ium Chloride
CID 87575063

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole?
The IUPAC name of 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole (CID 10954357) is 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole?
The canonical SMILES for 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole is CC/C=C\CC/C=C/c1nccn1C.
What is the InChIKey of 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole?
The InChIKey is PBEHKGXRXOSEKH-FTGFODROSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-4-5-6-7-8-9-12-13-10-11-14(12)2/h4-5,8-11H,3,6-7H2,1-2H3/b5-4-,9-8+.
What are the key properties of 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole?
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole has a molecular weight of 190.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole is sourced from PubChem (CID 10954357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).