1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide

C23H37BrN2O — CID 175100724

IUPAC1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide
SMILESBr.CCCCCCCCCCCc1nc(C(C)O)cn1Cc1ccccc1
InChIInChI=1S/C23H36N2O.BrH/c1-3-4-5-6-7-8-9-10-14-17-23-24-22(20(2)26)19-25(23)18-21-15-12-11-13-16-21;/h11-13,15-16,19-20,26H,3-10,14,17-18H2,1-2H3;1H
InChIKeyHDUZFZZQICIQJC-UHFFFAOYSA-N
MW437.47 g/mol
LogP6.64
Rot. Bonds13

About 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide

1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide (PubChem CID 175100724) has the molecular formula C23H37BrN2O and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide
PubChem CID175100724
Molecular FormulaC23H37BrN2O
Molecular Weight437.47 g/mol
Exact Mass436.21
IUPAC Name1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide
SMILESBr.CCCCCCCCCCCc1nc(C(C)O)cn1Cc1ccccc1
InChIInChI=1S/C23H36N2O.BrH/c1-3-4-5-6-7-8-9-10-14-17-23-24-22(20(2)26)19-25(23)18-21-15-12-11-13-16-21;/h11-13,15-16,19-20,26H,3-10,14,17-18H2,1-2H3;1H
InChIKeyHDUZFZZQICIQJC-UHFFFAOYSA-N
XLogP6.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 56.64
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-(1-benzyl-2-undecylimidazol-4-yl)ethanol;ethyl hydrogen sulfate
CID 175096305
1-benzyl-2-octylimidazole
CID 70491727
5-[[2-butyl-4-[hydroxy(phenyl)methyl]imidazol-1-yl]methyl]-2-phenylbenzoic acid
CID 174358857
2-pentadecyl-4-(3-phenylpropyl)-1-tridecylimidazole
CID 69389847
1-octyl-4-(3-phenylpropyl)-2-undecylimidazole
CID 69393954
1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394705
1-hexadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394149
1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69395730
1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole
CID 69393201
2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
CID 69388588
1-pentadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69391173
2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
CID 69391447

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide?
The IUPAC name of 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide (CID 175100724) is 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide.
What is the SMILES notation for 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide?
The canonical SMILES for 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide is Br.CCCCCCCCCCCc1nc(C(C)O)cn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide?
The InChIKey is HDUZFZZQICIQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O.BrH/c1-3-4-5-6-7-8-9-10-14-17-23-24-22(20(2)26)19-25(23)18-21-15-12-11-13-16-21;/h11-13,15-16,19-20,26H,3-10,14,17-18H2,1-2H3;1H.
What are the key properties of 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide?
1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide has a molecular weight of 437.47 g/mol, XLogP of 6.64, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-undecylimidazol-4-yl)ethanol;hydrobromide is sourced from PubChem (CID 175100724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).