1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole

C16H26N2 — CID 90924335

IUPAC1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole
SMILESCC=C(C=CC=CCCC)CN1CC(C)N=C1C
InChIInChI=1S/C16H26N2/c1-5-7-8-9-10-11-16(6-2)13-18-12-14(3)17-15(18)4/h6,8-11,14H,5,7,12-13H2,1-4H3
InChIKeyFMPWFZOSUVMYDF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.97
Rot. Bonds6

About 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole

1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole (PubChem CID 90924335) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole
PubChem CID90924335
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole
SMILESCC=C(C=CC=CCCC)CN1CC(C)N=C1C
InChIInChI=1S/C16H26N2/c1-5-7-8-9-10-11-16(6-2)13-18-12-14(3)17-15(18)4/h6,8-11,14H,5,7,12-13H2,1-4H3
InChIKeyFMPWFZOSUVMYDF-UHFFFAOYSA-N
XLogP3.97
TPSA15.60 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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole (CID 90924335) is 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole is CC=C(C=CC=CCCC)CN1CC(C)N=C1C.
What is the InChIKey of 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole?
The InChIKey is FMPWFZOSUVMYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-7-8-9-10-11-16(6-2)13-18-12-14(3)17-15(18)4/h6,8-11,14H,5,7,12-13H2,1-4H3.
What are the key properties of 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole?
1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole has a molecular weight of 246.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole is sourced from PubChem (CID 90924335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).