azane;1-hexadecyl-4,5-dihydroimidazole

C19H41N3 — CID 174750649

IUPACazane;1-hexadecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCCN1C=NCC1.N
InChIInChI=1S/C19H38N2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-20-19-21;/h19H,2-18H2,1H3;1H3
InChIKeySSIVAVLNFRHHFZ-UHFFFAOYSA-N
MW311.56 g/mol
LogP5.97
Rot. Bonds15

About azane;1-hexadecyl-4,5-dihydroimidazole

azane;1-hexadecyl-4,5-dihydroimidazole (PubChem CID 174750649) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is azane;1-hexadecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Nameazane;1-hexadecyl-4,5-dihydroimidazole
PubChem CID174750649
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC Nameazane;1-hexadecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCCN1C=NCC1.N
InChIInChI=1S/C19H38N2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-20-19-21;/h19H,2-18H2,1H3;1H3
InChIKeySSIVAVLNFRHHFZ-UHFFFAOYSA-N
XLogP5.97
TPSA50.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.56
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
1-heptyl-4,5-dihydroimidazole
CID 19733963
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
1-dodecyl-4,5-dihydroimidazole;2-(trimethylazaniumyl)acetate
CID 173231267
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
dodecakis(1-butyl-4,5-dihydroimidazole);fluorophosphonic acid
CID 173136185
3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
CID 140625026
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
chloro-[3-(4,5-dihydroimidazol-1-yl)propyl]-ethyl-propoxysilane
CID 140625067

Frequently Asked Questions

What is the IUPAC name of azane;1-hexadecyl-4,5-dihydroimidazole?
The IUPAC name of azane;1-hexadecyl-4,5-dihydroimidazole (CID 174750649) is azane;1-hexadecyl-4,5-dihydroimidazole.
What is the SMILES notation for azane;1-hexadecyl-4,5-dihydroimidazole?
The canonical SMILES for azane;1-hexadecyl-4,5-dihydroimidazole is CCCCCCCCCCCCCCCCN1C=NCC1.N.
What is the InChIKey of azane;1-hexadecyl-4,5-dihydroimidazole?
The InChIKey is SSIVAVLNFRHHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-20-19-21;/h19H,2-18H2,1H3;1H3.
What are the key properties of azane;1-hexadecyl-4,5-dihydroimidazole?
azane;1-hexadecyl-4,5-dihydroimidazole has a molecular weight of 311.56 g/mol, XLogP of 5.97, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-hexadecyl-4,5-dihydroimidazole is sourced from PubChem (CID 174750649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).