1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate

C20H41N3O2 — CID 173231267

IUPAC1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
SMILESCCCCCCCCCCCCN1C=NCC1.C[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/C15H30N2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;1-6(2,3)4-5(7)8/h15H,2-14H2,1H3;4H2,1-3H3
InChIKeyLPUDQBXSCRSFFH-UHFFFAOYSA-N
MW355.57 g/mol
LogP2.69
Rot. Bonds13

About 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate

1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate (PubChem CID 173231267) has the molecular formula C20H41N3O2 and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate.

Molecular Properties

Compound Name1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
PubChem CID173231267
Molecular FormulaC20H41N3O2
Molecular Weight355.57 g/mol
Exact Mass355.32
IUPAC Name1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
SMILESCCCCCCCCCCCCN1C=NCC1.C[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/C15H30N2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;1-6(2,3)4-5(7)8/h15H,2-14H2,1H3;4H2,1-3H3
InChIKeyLPUDQBXSCRSFFH-UHFFFAOYSA-N
XLogP2.69
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-heptyl-4,5-dihydroimidazole
CID 19733963
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
dodecakis(1-butyl-4,5-dihydroimidazole);fluorophosphonic acid
CID 173136185
hexadecanoate;2-(trimethylazaniumyl)acetate
CID 22242455
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
butane;2-(trimethylazaniumyl)acetate
CID 129220851
2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate?
The IUPAC name of 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate (CID 173231267) is 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate.
What is the SMILES notation for 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate?
The canonical SMILES for 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate is CCCCCCCCCCCCN1C=NCC1.C[N+](C)(C)CC(=O)[O-].
What is the InChIKey of 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate?
The InChIKey is LPUDQBXSCRSFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;1-6(2,3)4-5(7)8/h15H,2-14H2,1H3;4H2,1-3H3.
What are the key properties of 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate?
1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate has a molecular weight of 355.57 g/mol, XLogP of 2.69, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate is sourced from PubChem (CID 173231267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).