2-hexadecyl-1H-imidazole;hydrobromide

C19H37BrN2 — CID 175342933

IUPAC2-hexadecyl-1H-imidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C19H36N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21-19;/h17-18H,2-16H2,1H3,(H,20,21);1H
InChIKeyKJYBXRYVDLYIAC-UHFFFAOYSA-N
MW373.42 g/mol
LogP7.01
Rot. Bonds15

About 2-hexadecyl-1H-imidazole;hydrobromide

2-hexadecyl-1H-imidazole;hydrobromide (PubChem CID 175342933) has the molecular formula C19H37BrN2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-hexadecyl-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-hexadecyl-1H-imidazole;hydrobromide
PubChem CID175342933
Molecular FormulaC19H37BrN2
Molecular Weight373.42 g/mol
Exact Mass372.21
IUPAC Name2-hexadecyl-1H-imidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C19H36N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21-19;/h17-18H,2-16H2,1H3,(H,20,21);1H
InChIKeyKJYBXRYVDLYIAC-UHFFFAOYSA-N
XLogP7.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-hexadecyl-1H-imidazole;urea
CID 174763574
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
2-butyl-1H-imidazole;cyclohexane
CID 173413359
2-hexyl-1H-imidazole;trifluoromethanesulfonic acid
CID 171931075
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-(12-icosoxyoctadecyl)-1H-imidazole
CID 141072232

Frequently Asked Questions

What is the IUPAC name of 2-hexadecyl-1H-imidazole;hydrobromide?
The IUPAC name of 2-hexadecyl-1H-imidazole;hydrobromide (CID 175342933) is 2-hexadecyl-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-hexadecyl-1H-imidazole;hydrobromide?
The canonical SMILES for 2-hexadecyl-1H-imidazole;hydrobromide is Br.CCCCCCCCCCCCCCCCc1ncc[nH]1.
What is the InChIKey of 2-hexadecyl-1H-imidazole;hydrobromide?
The InChIKey is KJYBXRYVDLYIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21-19;/h17-18H,2-16H2,1H3,(H,20,21);1H.
What are the key properties of 2-hexadecyl-1H-imidazole;hydrobromide?
2-hexadecyl-1H-imidazole;hydrobromide has a molecular weight of 373.42 g/mol, XLogP of 7.01, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyl-1H-imidazole;hydrobromide is sourced from PubChem (CID 175342933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).