5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole

C16H26N2 — CID 6442784

IUPAC5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole
SMILESCC(C)=CCC/C(C)=C/c1cncn1CC(C)C
InChIInChI=1S/C16H26N2/c1-13(2)7-6-8-15(5)9-16-10-17-12-18(16)11-14(3)4/h7,9-10,12,14H,6,8,11H2,1-5H3/b15-9+
InChIKeyDZKNFTAYSBGZTK-OQLLNIDSSA-N
MW246.40 g/mol
LogP4.69
Rot. Bonds6

About 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole

5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole (PubChem CID 6442784) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole.

Molecular Properties

Compound Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole
PubChem CID6442784
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole
SMILESCC(C)=CCC/C(C)=C/c1cncn1CC(C)C
InChIInChI=1S/C16H26N2/c1-13(2)7-6-8-15(5)9-16-10-17-12-18(16)11-14(3)4/h7,9-10,12,14H,6,8,11H2,1-5H3/b15-9+
InChIKeyDZKNFTAYSBGZTK-OQLLNIDSSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-methylimidazol-4-yl)prop-2-enenitrile
CID 5468971
5H-Pyrrolo[1,2-c]imidazole
CID 12275054
5-Ethenyl-1-prop-2-enylimidazole
CID 45087580
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)-
CID 6442774
4-Methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
CID 59431281
3-[4-[2-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-7-methylidene-8H-imidazo[1,2-a]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 87057977
4-[[3-[1-(4-Fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine
CID 123621642
5-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-methylimidazole
CID 129296647
(2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine
CID 134291827
4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine
CID 134292061
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methyl-4-(trifluoromethyl)imidazole
CID 141974386
1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole
CID 142001727

Frequently Asked Questions

What is the IUPAC name of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole?
The IUPAC name of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole (CID 6442784) is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole.
What is the SMILES notation for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole?
The canonical SMILES for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole is CC(C)=CCC/C(C)=C/c1cncn1CC(C)C.
What is the InChIKey of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole?
The InChIKey is DZKNFTAYSBGZTK-OQLLNIDSSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)7-6-8-15(5)9-16-10-17-12-18(16)11-14(3)4/h7,9-10,12,14H,6,8,11H2,1-5H3/b15-9+.
What are the key properties of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole?
5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole has a molecular weight of 246.40 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole is sourced from PubChem (CID 6442784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).