1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride

C17H33ClN2O — CID 175195574

IUPAC1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride
SMILESCCCCc1nc(CCCC)n(CCCC)c1C(C)O.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-5-8-11-15-17(14(4)20)19(13-10-7-3)16(18-15)12-9-6-2;/h14,20H,5-13H2,1-4H3;1H
InChIKeyLPICHWYIHMPJBG-UHFFFAOYSA-N
MW316.92 g/mol
LogP4.84
Rot. Bonds10

About 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride

1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride (PubChem CID 175195574) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride
PubChem CID175195574
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride
SMILESCCCCc1nc(CCCC)n(CCCC)c1C(C)O.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-5-8-11-15-17(14(4)20)19(13-10-7-3)16(18-15)12-9-6-2;/h14,20H,5-13H2,1-4H3;1H
InChIKeyLPICHWYIHMPJBG-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-butylbenzimidazol-1-yl)propan-1-ol
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5-butyl-3-propan-2-yl-2-propylimidazol-4-amine
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CID 166083008
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
5-butyl-2-ethyl-3-methylimidazol-4-amine
CID 62225832
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
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CID 16988638

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride?
The IUPAC name of 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride (CID 175195574) is 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride is CCCCc1nc(CCCC)n(CCCC)c1C(C)O.Cl.
What is the InChIKey of 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride?
The InChIKey is LPICHWYIHMPJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-5-8-11-15-17(14(4)20)19(13-10-7-3)16(18-15)12-9-6-2;/h14,20H,5-13H2,1-4H3;1H.
What are the key properties of 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride?
1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride is sourced from PubChem (CID 175195574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).