2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide

C17H33BrN2O2 — CID 175190405

IUPAC2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide
SMILESBr.CCCCCCCCCCCCc1nc(O)cn1CCO
InChIInChI=1S/C17H32N2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-16-18-17(21)15-19(16)13-14-20;/h15,20-21H,2-14H2,1H3;1H
InChIKeyCWEMUFSVUUVDEH-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.62
Rot. Bonds13

About 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide

2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide (PubChem CID 175190405) has the molecular formula C17H33BrN2O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide.

Molecular Properties

Compound Name2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide
PubChem CID175190405
Molecular FormulaC17H33BrN2O2
Molecular Weight377.37 g/mol
Exact Mass376.17
IUPAC Name2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide
SMILESBr.CCCCCCCCCCCCc1nc(O)cn1CCO
InChIInChI=1S/C17H32N2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-16-18-17(21)15-19(16)13-14-20;/h15,20-21H,2-14H2,1H3;1H
InChIKeyCWEMUFSVUUVDEH-UHFFFAOYSA-N
XLogP4.62
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1,2-dihexylimidazole
CID 141131957
3-(4-methyl-2-undecylimidazol-1-yl)propanenitrile
CID 170847829
2,4-didecyl-1-methylimidazole
CID 68813551
6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 70808083
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
1-octyl-4-(3-phenylpropyl)-2-undecylimidazole
CID 69393954
1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole
CID 69393201
1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69395730
2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
CID 69388588
1-pentadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69391173
1-heptyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69394508
1-heptadecyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69392845

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide?
The IUPAC name of 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide (CID 175190405) is 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide.
What is the SMILES notation for 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide?
The canonical SMILES for 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide is Br.CCCCCCCCCCCCc1nc(O)cn1CCO.
What is the InChIKey of 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide?
The InChIKey is CWEMUFSVUUVDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-16-18-17(21)15-19(16)13-14-20;/h15,20-21H,2-14H2,1H3;1H.
What are the key properties of 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide?
2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide has a molecular weight of 377.37 g/mol, XLogP of 4.62, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-1-(2-hydroxyethyl)imidazol-4-ol;hydrobromide is sourced from PubChem (CID 175190405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).