2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol

C19H37N2O+ — CID 57271596

IUPAC2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
SMILESCCCCCCCCC(=C[N+]1(CCO)C=NCC1)CCCC
InChIInChI=1S/C19H37N2O/c1-3-5-7-8-9-10-12-19(11-6-4-2)17-21(15-16-22)14-13-20-18-21/h17-18,22H,3-16H2,1-2H3/q+1
InChIKeyCXJBZFCXJSKQDU-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.66
Rot. Bonds13

About 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol

2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol (PubChem CID 57271596) has the molecular formula C19H37N2O+ and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
PubChem CID57271596
Molecular FormulaC19H37N2O+
Molecular Weight309.52 g/mol
Exact Mass309.29
IUPAC Name2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
SMILESCCCCCCCCC(=C[N+]1(CCO)C=NCC1)CCCC
InChIInChI=1S/C19H37N2O/c1-3-5-7-8-9-10-12-19(11-6-4-2)17-21(15-16-22)14-13-20-18-21/h17-18,22H,3-16H2,1-2H3/q+1
InChIKeyCXJBZFCXJSKQDU-UHFFFAOYSA-N
XLogP4.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 57265843
2-(1-hexadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 70259579
1-methyl-1-octadec-9-enyl-4,5-dihydroimidazol-1-ium
CID 70532326
[(E)-2-butyloct-1-enyl]-trimethylsilane
CID 10037319
(E)-3-ethyldec-2-en-1-ol
CID 118599698
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
6-ethylidenehexadecane
CID 169207706
disodium;ditridecyl 4,5-dihydroimidazol-1-ium-1,1-dicarboxylate;hydride
CID 173462212
2-hexyldec-1-en-1-ol
CID 85340680
(E)-5-butyltridec-4-ene
CID 12531554
(E)-3-ethyloct-2-en-1-ol
CID 13383767
5-butylicos-4-ene
CID 54084142

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The IUPAC name of 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol (CID 57271596) is 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol is CCCCCCCCC(=C[N+]1(CCO)C=NCC1)CCCC.
What is the InChIKey of 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The InChIKey is CXJBZFCXJSKQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N2O/c1-3-5-7-8-9-10-12-19(11-6-4-2)17-21(15-16-22)14-13-20-18-21/h17-18,22H,3-16H2,1-2H3/q+1.
What are the key properties of 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol has a molecular weight of 309.52 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-butyldec-1-enyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol is sourced from PubChem (CID 57271596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).