2-(4-hexadecylimidazol-1-yl)ethanol

C21H40N2O — CID 175193401

IUPAC2-(4-hexadecylimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCc1cn(CCO)cn1
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-23(17-18-24)20-22-21/h19-20,24H,2-18H2,1H3
InChIKeyNZUPBJOCBVBPGQ-UHFFFAOYSA-N
MW336.56 g/mol
LogP5.90
Rot. Bonds17

About 2-(4-hexadecylimidazol-1-yl)ethanol

2-(4-hexadecylimidazol-1-yl)ethanol (PubChem CID 175193401) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 2-(4-hexadecylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-hexadecylimidazol-1-yl)ethanol
PubChem CID175193401
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name2-(4-hexadecylimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCc1cn(CCO)cn1
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-23(17-18-24)20-22-21/h19-20,24H,2-18H2,1H3
InChIKeyNZUPBJOCBVBPGQ-UHFFFAOYSA-N
XLogP5.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.90
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

(1-pentylimidazol-4-yl)methanol
CID 11147952
4-butyl-1-(3-methylbutyl)imidazole
CID 164535740
6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol
CID 107706775
butyl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate
CID 166402284
ethane;4-ethyl-1-pentylimidazole
CID 142090904
1,4-dipropylimidazole;ethane
CID 165398933
(1-butylimidazol-4-yl)methanamine
CID 82467842
5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
CID 106717483
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
CID 106717261
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexadecylimidazol-1-yl)ethanol?
The IUPAC name of 2-(4-hexadecylimidazol-1-yl)ethanol (CID 175193401) is 2-(4-hexadecylimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-hexadecylimidazol-1-yl)ethanol?
The canonical SMILES for 2-(4-hexadecylimidazol-1-yl)ethanol is CCCCCCCCCCCCCCCCc1cn(CCO)cn1.
What is the InChIKey of 2-(4-hexadecylimidazol-1-yl)ethanol?
The InChIKey is NZUPBJOCBVBPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-23(17-18-24)20-22-21/h19-20,24H,2-18H2,1H3.
What are the key properties of 2-(4-hexadecylimidazol-1-yl)ethanol?
2-(4-hexadecylimidazol-1-yl)ethanol has a molecular weight of 336.56 g/mol, XLogP of 5.90, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexadecylimidazol-1-yl)ethanol is sourced from PubChem (CID 175193401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).