2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol

C18H37N2O+ — CID 20717134

IUPAC2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
SMILESCCCCCCCCCCCCC1=NCC[N+]1(C)CCO
InChIInChI=1S/C18H37N2O/c1-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18,2)16-17-21/h21H,3-17H2,1-2H3/q+1
InChIKeyVJMLVROJMUTGHQ-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.15
Rot. Bonds13

About 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol

2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol (PubChem CID 20717134) has the molecular formula C18H37N2O+ and a molecular weight of 297.51 g/mol. Its IUPAC name is 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
PubChem CID20717134
Molecular FormulaC18H37N2O+
Molecular Weight297.51 g/mol
Exact Mass297.29
IUPAC Name2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
SMILESCCCCCCCCCCCCC1=NCC[N+]1(C)CCO
InChIInChI=1S/C18H37N2O/c1-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18,2)16-17-21/h21H,3-17H2,1-2H3/q+1
InChIKeyVJMLVROJMUTGHQ-UHFFFAOYSA-N
XLogP4.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.15
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-methyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 19866351
1-(2-hydroxyethyl)-2-octyl-4,5-dihydroimidazol-1-ium-1-carboxylate
CID 140922666
2-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
CID 15651732
2-[1-ethyl-2-[(E)-henicos-9-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101330758
2-[1-ethyl-2-[(E)-heptadec-6-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101330333
2-[1-ethyl-2-[(E)-tetradec-5-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101330079
2-[1-ethyl-2-[(E)-henicos-12-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101330761
2-[2-hexadecyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate
CID 58782961
2-(2-dodecyl-1-octadec-9-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol chloride
CID 66926309
2-[1-ethyl-2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101330338
2-[2-decyl-1-(4-hydroxybutyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
CID 154488710
2-[1-(4-hydroxybutyl)-2-octadecyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
CID 122610917

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The IUPAC name of 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol (CID 20717134) is 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol is CCCCCCCCCCCCC1=NCC[N+]1(C)CCO.
What is the InChIKey of 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The InChIKey is VJMLVROJMUTGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N2O/c1-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18,2)16-17-21/h21H,3-17H2,1-2H3/q+1.
What are the key properties of 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol has a molecular weight of 297.51 g/mol, XLogP of 4.15, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol is sourced from PubChem (CID 20717134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).