2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole

C21H36N2 — CID 5369148

IUPAC2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC1=NCCN1C
InChIInChI=1S/C21H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4-,8-7-,11-10-
InChIKeySKOGNKYERUGETD-YSTUJMKBSA-N
MW316.53 g/mol
LogP5.92
Rot. Bonds13

About 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole

2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 5369148) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole
PubChem CID5369148
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC1=NCCN1C
InChIInChI=1S/C21H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4-,8-7-,11-10-
InChIKeySKOGNKYERUGETD-YSTUJMKBSA-N
XLogP5.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.92
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

2-[2-[(E)-dec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327506
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229
2-[2-[(E)-heptadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323520
2-[2-[(E)-tridec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327593
2-[2-[(E)-octadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327795
2-[2-[(E)-octadec-10-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327799
1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67317165
2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322944

Frequently Asked Questions

What is the IUPAC name of 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole (CID 5369148) is 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole is CC/C=C\C/C=C\C/C=C\CCCCCCCC1=NCCN1C.
What is the InChIKey of 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is SKOGNKYERUGETD-YSTUJMKBSA-N. The full InChI is InChI=1S/C21H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4-,8-7-,11-10-.
What are the key properties of 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole?
2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 316.53 g/mol, XLogP of 5.92, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 5369148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).