5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole

C16H28N2 — CID 66660241

IUPAC5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole
SMILESCCCC/C(=C/C(CCC)Cc1cnc[nH]1)CC
InChIInChI=1S/C16H28N2/c1-4-7-9-14(6-3)10-15(8-5-2)11-16-12-17-13-18-16/h10,12-13,15H,4-9,11H2,1-3H3,(H,17,18)/b14-10+
InChIKeyNIPLEVBNVVOAGR-GXDHUFHOSA-N
MW248.41 g/mol
LogP4.90
Rot. Bonds9

About 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole

5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole (PubChem CID 66660241) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole
PubChem CID66660241
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole
SMILESCCCC/C(=C/C(CCC)Cc1cnc[nH]1)CC
InChIInChI=1S/C16H28N2/c1-4-7-9-14(6-3)10-15(8-5-2)11-16-12-17-13-18-16/h10,12-13,15H,4-9,11H2,1-3H3,(H,17,18)/b14-10+
InChIKeyNIPLEVBNVVOAGR-GXDHUFHOSA-N
XLogP4.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-5-yl)pentan-2-amine
CID 84752942
2-(1H-imidazol-5-ylmethyl)butanal
CID 121486226
(2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol
CID 163419195
(2S)-3-(1H-imidazol-5-yl)-2-(pentadecanoylamino)propanoic acid
CID 130237897
(2S)-3-(1H-imidazol-5-yl)-2-(pentacosanoylamino)propanoic acid
CID 171116857
(2S)-2-amino-1-(1H-imidazol-5-yl)-4-propylheptan-3-one
CID 135230876
N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]icosanamide
CID 139763969
N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide
CID 123905839
sodium;hydride;(2S)-3-(1H-imidazol-5-yl)-2-(tetradecanoylamino)propanoic acid
CID 174767613
ethyl (2S)-2-(docosanoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 141343752
5-hexyl-1H-imidazole
CID 14225142
(2S)-2-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]octanoic acid
CID 59101024

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole?
The IUPAC name of 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole (CID 66660241) is 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole?
The canonical SMILES for 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole is CCCC/C(=C/C(CCC)Cc1cnc[nH]1)CC.
What is the InChIKey of 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole?
The InChIKey is NIPLEVBNVVOAGR-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-7-9-14(6-3)10-15(8-5-2)11-16-12-17-13-18-16/h10,12-13,15H,4-9,11H2,1-3H3,(H,17,18)/b14-10+.
What are the key properties of 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole?
5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole has a molecular weight of 248.41 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-ethyl-2-propyloct-3-enyl]-1H-imidazole is sourced from PubChem (CID 66660241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).